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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-5-nitrobenzoic acid

SMILES

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

InChI

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

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:51:15 GMT 2023
Edited
by admin
on Fri Dec 15 18:51:15 GMT 2023
Record UNII
V32SF9XBE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methyl-5-nitrobenzoic acid
Systematic Name English
Methyl-5-nitrobenzoic acid, 2-
Common Name English
5-Nitro-o-toluic acid
Common Name English
o-Toluic acid, 5-nitro
Systematic Name English
3-Nitro-6-methylbenzoic acid
Systematic Name English
5-Nitro-2-methylbenzoic acid
Systematic Name English
Benzoic acid, 2-methyl-5-nitro-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2025638
Created by admin on Fri Dec 15 18:51:16 GMT 2023 , Edited by admin on Fri Dec 15 18:51:16 GMT 2023
PRIMARY
CAS
1975-52-6
Created by admin on Fri Dec 15 18:51:16 GMT 2023 , Edited by admin on Fri Dec 15 18:51:16 GMT 2023
PRIMARY
PUBCHEM
519683
Created by admin on Fri Dec 15 18:51:16 GMT 2023 , Edited by admin on Fri Dec 15 18:51:16 GMT 2023
PRIMARY
FDA UNII
V32SF9XBE2
Created by admin on Fri Dec 15 18:51:16 GMT 2023 , Edited by admin on Fri Dec 15 18:51:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-829-0
Created by admin on Fri Dec 15 18:51:16 GMT 2023 , Edited by admin on Fri Dec 15 18:51:16 GMT 2023
PRIMARY