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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 3-NITRO-P-TOLUIC ACID

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
3-NITRO-P-TOLUIC ACID
Systematic Name English
BENZOIC ACID, 4-METHYL-3-NITRO-
Systematic Name English
P-TOLUIC ACID, 3-NITRO-
Systematic Name English
3-NITRO-4-METHYLBENZOIC ACID
Systematic Name English
NSC-50659
Code English
4-METHYL-3-NITROBENZOIC ACID
Systematic Name English
M-NITRO-P-TOLUIC ACID
Common Name English
METHYL-3-NITROBENZOIC ACID, 4-
Common Name English
Code System Code Type Description
CAS
96-98-0
Created by admin on Fri Dec 15 18:18:04 GMT 2023 , Edited by admin on Fri Dec 15 18:18:04 GMT 2023
PRIMARY
NSC
50659
Created by admin on Fri Dec 15 18:18:04 GMT 2023 , Edited by admin on Fri Dec 15 18:18:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-549-3
Created by admin on Fri Dec 15 18:18:04 GMT 2023 , Edited by admin on Fri Dec 15 18:18:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID6025642
Created by admin on Fri Dec 15 18:18:04 GMT 2023 , Edited by admin on Fri Dec 15 18:18:04 GMT 2023
PRIMARY
FDA UNII
4SVO2C6KJ2
Created by admin on Fri Dec 15 18:18:04 GMT 2023 , Edited by admin on Fri Dec 15 18:18:04 GMT 2023
PRIMARY
PUBCHEM
7319
Created by admin on Fri Dec 15 18:18:04 GMT 2023 , Edited by admin on Fri Dec 15 18:18:04 GMT 2023
PRIMARY