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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 5-METHYL-2-NITROBENZOIC ACID

SMILES

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

InChI

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

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:07:38 GMT 2025
Edited
by admin
on Mon Mar 31 19:07:38 GMT 2025
Record UNII
M9473083XH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-38067
Preferred Name English
5-METHYL-2-NITROBENZOIC ACID
Systematic Name English
M-TOLUIC ACID, 6-NITRO-
Systematic Name English
METHYL-2-NITROBENZOIC ACID, 5-
Common Name English
2-NITRO-5-METHYLBENZOIC ACID
Systematic Name English
3-METHYL-6-NITROBENZOIC ACID
Systematic Name English
BENZOIC ACID, 5-METHYL-2-NITRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID1025643
Created by admin on Mon Mar 31 19:07:38 GMT 2025 , Edited by admin on Mon Mar 31 19:07:38 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-481-5
Created by admin on Mon Mar 31 19:07:38 GMT 2025 , Edited by admin on Mon Mar 31 19:07:38 GMT 2025
PRIMARY
NSC
38067
Created by admin on Mon Mar 31 19:07:38 GMT 2025 , Edited by admin on Mon Mar 31 19:07:38 GMT 2025
PRIMARY
CAS
3113-72-2
Created by admin on Mon Mar 31 19:07:38 GMT 2025 , Edited by admin on Mon Mar 31 19:07:38 GMT 2025
PRIMARY
FDA UNII
M9473083XH
Created by admin on Mon Mar 31 19:07:38 GMT 2025 , Edited by admin on Mon Mar 31 19:07:38 GMT 2025
PRIMARY
PUBCHEM
18371
Created by admin on Mon Mar 31 19:07:38 GMT 2025 , Edited by admin on Mon Mar 31 19:07:38 GMT 2025
PRIMARY