U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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-METHYL-2-NITROBENZOIC ACID

SMILES

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

InChI

InChIKey=DGDAVTPQCQXLGU-UHFFFAOYSA-N
InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)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

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:02:49 GMT 2023
Edited
by admin
on Fri Dec 15 18:02:49 GMT 2023
Record UNII
61WOP984AB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2-NITROBENZOIC ACID
Systematic Name English
METHYL-2-NITROBENZOIC ACID, 3-
Common Name English
M-TOLUIC ACID, 2-NITRO-
Common Name English
2-NITRO-M-TOLUIC ACID
Systematic Name English
BENZOIC ACID, 3-METHYL-2-NITRO-
Systematic Name English
NSC-16048
Code English
Code System Code Type Description
FDA UNII
61WOP984AB
Created by admin on Fri Dec 15 18:02:49 GMT 2023 , Edited by admin on Fri Dec 15 18:02:49 GMT 2023
PRIMARY
NSC
16048
Created by admin on Fri Dec 15 18:02:49 GMT 2023 , Edited by admin on Fri Dec 15 18:02:49 GMT 2023
PRIMARY
PUBCHEM
21575
Created by admin on Fri Dec 15 18:02:49 GMT 2023 , Edited by admin on Fri Dec 15 18:02:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-610-9
Created by admin on Fri Dec 15 18:02:49 GMT 2023 , Edited by admin on Fri Dec 15 18:02:49 GMT 2023
PRIMARY
CAS
5437-38-7
Created by admin on Fri Dec 15 18:02:49 GMT 2023 , Edited by admin on Fri Dec 15 18:02:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID6025640
Created by admin on Fri Dec 15 18:02:49 GMT 2023 , Edited by admin on Fri Dec 15 18:02:49 GMT 2023
PRIMARY