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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO4
Molecular Weight 181.1455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-3-NITROBENZOIC ACID

SMILES

CC1=C(C=CC=C1[N+]([O-])=O)C(O)=O

InChI

InChIKey=YPQAFWHSMWWPLX-UHFFFAOYSA-N
InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H7NO4
Molecular Weight 181.1455
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
[Determination of 2-methyl-3-nitrobenzoic acid through pretreatment with diazomethane by gas chromatography].
2002 Sep
(Methanol-κO)(2-methyl-3-nitro-benzoato-κO)triphenyl-tin(IV).
2010 Aug 28
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:18:05 GMT 2023
Edited
by admin
on Fri Dec 15 18:18:05 GMT 2023
Record UNII
0SI17D349B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-3-NITROBENZOIC ACID
Systematic Name English
3-NITRO-O-TOLUIC ACID
Common Name English
METHYL-3-NITROBENZOIC ACID, 2-
Common Name English
BENZOIC ACID, 2-METHYL-3-NITRO-
Systematic Name English
3-NITRO-2-METHYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
0SI17D349B
Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID7025637
Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023
PRIMARY
CAS
1975-50-4
Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-826-4
Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023
PRIMARY
PUBCHEM
16096
Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023
PRIMARY