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Nitrotoluenes

Organic compounds that consist of a toluene molecule with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. A toluene molecule is a benzene with a methyl group substitution.
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Keyword Search:
1 – 15 of 64 results
1

2-Chloro-4-nitrotoluene, 98%

CAS: 121-86-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007210 InChI Key: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

PubChem CID 8491
CAS 121-86-8
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007210
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Synonym 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene
IUPAC Name 2-chloro-1-methyl-4-nitrobenzene
InChI Key LLYXJBROWQDVMI-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
2

2-Methyl-5-nitroaniline, 98+%

CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O

PubChem CID 7444
CAS 99-55-8
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:66891
MDL Number MFCD00007741
SMILES CC1=CC=C(C=C1N)[N+]([O-])=O
Synonym 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp
IUPAC Name 2-methyl-5-nitroaniline
InChI Key DSBIJCMXAIKKKI-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
3

2-Methyl-6-nitroaniline, 98%

CAS: 570-24-1 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007744 InChI Key: FCMRHMPITHLLLA-UHFFFAOYSA-N Synonym: 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc PubChem CID: 11298 IUPAC Name: 2-methyl-6-nitroaniline SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])N

PubChem CID 11298
CAS 570-24-1
Molecular Weight (g/mol) 152.153
MDL Number MFCD00007744
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])N
Synonym 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc
IUPAC Name 2-methyl-6-nitroaniline
InChI Key FCMRHMPITHLLLA-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
4

3-Methyl-4-nitrobenzonitrile, 97%

CAS: 96784-54-2 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00017615 InChI Key: IHVNKSXTJZNBQA-UHFFFAOYSA-N Synonym: benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa PubChem CID: 2801434 IUPAC Name: 3-methyl-4-nitrobenzonitrile SMILES: CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

PubChem CID 2801434
CAS 96784-54-2
Molecular Weight (g/mol) 162.148
MDL Number MFCD00017615
SMILES CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]
Synonym benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa
IUPAC Name 3-methyl-4-nitrobenzonitrile
InChI Key IHVNKSXTJZNBQA-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
5

4-Chloro-2-methyl-6-nitroaniline, 98%

CAS: 62790-50-5 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.60 MDL Number: MFCD01320687 InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N PubChem CID: 182355 IUPAC Name: 4-chloro-2-methyl-6-nitroaniline SMILES: CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O

PubChem CID 182355
CAS 62790-50-5
Molecular Weight (g/mol) 186.60
MDL Number MFCD01320687
SMILES CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O
IUPAC Name 4-chloro-2-methyl-6-nitroaniline
InChI Key QDSCDFKGUAONPC-UHFFFAOYSA-N
Molecular Formula C7H7ClN2O2
6

2-Fluoro-4-nitrotoluene, 98%

CAS: 1427-07-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007199 InChI Key: WIQISTBTOQNVCE-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrotoluene,toluene, 2-fluoro-4-nitro,benzene, 2-fluoro-1-methyl-4-nitro,3-fluoro-4-methylnitrobenzene,1-methyl-2-fluoro-4-nitrobenzene,2-fluoro-1-methyl-4-nitro-benzene,pubchem1592,2-fluoro4-nitrotoluene,acmc-209cov,2-fluor-4-nitro-toluol PubChem CID: 74025 IUPAC Name: 2-fluoro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])F

PubChem CID 74025
CAS 1427-07-2
Molecular Weight (g/mol) 155.128
MDL Number MFCD00007199
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])F
Synonym 2-fluoro-4-nitrotoluene,toluene, 2-fluoro-4-nitro,benzene, 2-fluoro-1-methyl-4-nitro,3-fluoro-4-methylnitrobenzene,1-methyl-2-fluoro-4-nitrobenzene,2-fluoro-1-methyl-4-nitro-benzene,pubchem1592,2-fluoro4-nitrotoluene,acmc-209cov,2-fluor-4-nitro-toluol
IUPAC Name 2-fluoro-1-methyl-4-nitrobenzene
InChI Key WIQISTBTOQNVCE-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
7

4-Methyl-3-nitrobenzenesulfonyl chloride, 95%, Thermo Scientific Chemicals

CAS: 616-83-1 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.638 MDL Number: MFCD00129811 InChI Key: OQFYBGANSUNUAO-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride PubChem CID: 560638 IUPAC Name: 4-methyl-3-nitrobenzenesulfonyl chloride SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

PubChem CID 560638
CAS 616-83-1
Molecular Weight (g/mol) 235.638
MDL Number MFCD00129811
SMILES CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]
Synonym 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride
IUPAC Name 4-methyl-3-nitrobenzenesulfonyl chloride
InChI Key OQFYBGANSUNUAO-UHFFFAOYSA-N
Molecular Formula C7H6ClNO4S
8

5-Fluoro-1,3-dimethyl-2-nitrobenzene, 98%

CAS: 315-12-8 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD03413407 InChI Key: KDPQDERPJHLWGF-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene PubChem CID: 12651353 IUPAC Name: 5-fluoro-1,3-dimethyl-2-nitrobenzene SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)F

PubChem CID 12651353
CAS 315-12-8
Molecular Weight (g/mol) 169.155
MDL Number MFCD03413407
SMILES CC1=CC(=CC(=C1[N+](=O)[O-])C)F
Synonym 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene
IUPAC Name 5-fluoro-1,3-dimethyl-2-nitrobenzene
InChI Key KDPQDERPJHLWGF-UHFFFAOYSA-N
Molecular Formula C8H8FNO2
9

2-Chloro-4-fluoro-5-nitrotoluene, 97%, Thermo Scientific Chemicals

CAS: 112108-73-3 Molecular Formula: C7H5ClFNO2 Molecular Weight (g/mol): 189.57 MDL Number: MFCD11110549 InChI Key: YXVJHZWHPLOEAP-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-5-nitrotoluene,1-chloro-5-fluoro-2-methyl-4-nitro-benzene,benzene, 1-chloro-5-fluoro-2-methyl-4-nitro,acmc-2099cn,ksc682i1p,2-chloro-4fluoro-5-nitrotoluene,1-chloranyl-5-fluoranyl-2-methyl-4-nitro-benzene PubChem CID: 10103979 IUPAC Name: 1-chloro-5-fluoro-2-methyl-4-nitrobenzene SMILES: CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

PubChem CID 10103979
CAS 112108-73-3
Molecular Weight (g/mol) 189.57
MDL Number MFCD11110549
SMILES CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-]
Synonym 2-chloro-4-fluoro-5-nitrotoluene,1-chloro-5-fluoro-2-methyl-4-nitro-benzene,benzene, 1-chloro-5-fluoro-2-methyl-4-nitro,acmc-2099cn,ksc682i1p,2-chloro-4fluoro-5-nitrotoluene,1-chloranyl-5-fluoranyl-2-methyl-4-nitro-benzene
IUPAC Name 1-chloro-5-fluoro-2-methyl-4-nitrobenzene
InChI Key YXVJHZWHPLOEAP-UHFFFAOYSA-N
Molecular Formula C7H5ClFNO2
10

4,5-Difluoro-2-nitrotoluene, 98%, Thermo Scientific Chemicals

CAS: 127371-50-0 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD04973772 InChI Key: DJEBTFSOEQWELL-UHFFFAOYSA-N Synonym: 4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro PubChem CID: 2756252 IUPAC Name: 1,2-difluoro-4-methyl-5-nitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])F)F

PubChem CID 2756252
CAS 127371-50-0
Molecular Weight (g/mol) 173.119
MDL Number MFCD04973772
SMILES CC1=CC(=C(C=C1[N+](=O)[O-])F)F
Synonym 4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro
IUPAC Name 1,2-difluoro-4-methyl-5-nitrobenzene
InChI Key DJEBTFSOEQWELL-UHFFFAOYSA-N
Molecular Formula C7H5F2NO2
11

2-Nitro-m-xylene, 99%

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

PubChem CID 6672
CAS 81-20-9
Molecular Weight (g/mol) 151.165
MDL Number MFCD00007181
SMILES CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name 1,3-dimethyl-2-nitrobenzene
InChI Key HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
12

2-Bromo-1,3,5-trimethyl-4-nitrobenzene, 90+%

CAS: 90561-85-6 Molecular Formula: C9H10BrNO2 Molecular Weight (g/mol): 244.088 MDL Number: MFCD00015924 InChI Key: IUFDRRDWXUSFBG-UHFFFAOYSA-N Synonym: 3-bromo-2,4,6-trimethylnitrobenzene,2-bromo-4-nitro-1,3,5-trimethylbenzene,1-bromo-3-nitro-2,4,6-trimethylbenzene,4-bromo-2-nitromesitylene,4-bromo-1,3,5-trimethyl-2-nitrobenzene,2-bromanyl-1,3,5-trimethyl-4-nitro-benzene PubChem CID: 2757200 IUPAC Name: 2-bromo-1,3,5-trimethyl-4-nitrobenzene SMILES: CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C

PubChem CID 2757200
CAS 90561-85-6
Molecular Weight (g/mol) 244.088
MDL Number MFCD00015924
SMILES CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C
Synonym 3-bromo-2,4,6-trimethylnitrobenzene,2-bromo-4-nitro-1,3,5-trimethylbenzene,1-bromo-3-nitro-2,4,6-trimethylbenzene,4-bromo-2-nitromesitylene,4-bromo-1,3,5-trimethyl-2-nitrobenzene,2-bromanyl-1,3,5-trimethyl-4-nitro-benzene
IUPAC Name 2-bromo-1,3,5-trimethyl-4-nitrobenzene
InChI Key IUFDRRDWXUSFBG-UHFFFAOYSA-N
Molecular Formula C9H10BrNO2
13

2-Iodo-4-nitrotoluene, 97%

CAS: 7745-92-8 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00024329 InChI Key: BUQSRXQJUZTIEW-UHFFFAOYSA-N Synonym: 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821 PubChem CID: 82188 IUPAC Name: 2-iodo-1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1I)[N+]([O-])=O

PubChem CID 82188
CAS 7745-92-8
Molecular Weight (g/mol) 263.03
MDL Number MFCD00024329
SMILES CC1=CC=C(C=C1I)[N+]([O-])=O
Synonym 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821
IUPAC Name 2-iodo-1-methyl-4-nitrobenzene
InChI Key BUQSRXQJUZTIEW-UHFFFAOYSA-N
Molecular Formula C7H6INO2
14

2-Fluoro-3-nitrotoluene, 98%

CAS: 437-86-5 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD03412242 InChI Key: NBCNUIXYBLFJMI-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene PubChem CID: 13470957 IUPAC Name: 2-fluoro-1-methyl-3-nitrobenzene SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])F

PubChem CID 13470957
CAS 437-86-5
Molecular Weight (g/mol) 155.128
MDL Number MFCD03412242
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])F
Synonym 2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene
IUPAC Name 2-fluoro-1-methyl-3-nitrobenzene
InChI Key NBCNUIXYBLFJMI-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
15

2-Methyl-3-nitrophenylacetic acid, 96%

CAS: 23876-15-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD07782132 InChI Key: LWIOFILTAJJDLA-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230 PubChem CID: 13530897 SMILES: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O

PubChem CID 13530897
CAS 23876-15-5
Molecular Weight (g/mol) 195.174
MDL Number MFCD07782132
SMILES CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O
Synonym 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230
InChI Key LWIOFILTAJJDLA-UHFFFAOYSA-N
Molecular Formula C9H9NO4