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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6NO4.K
Molecular Weight 219.2358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 3-METHYL-4-NITROBENZOATE

SMILES

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

InChI

InChIKey=LIVTTXKCFYITKG-UHFFFAOYSA-M
InChI=1S/C8H7NO4.K/c1-5-4-6(8(10)11)2-3-7(5)9(12)13;/h2-4H,1H3,(H,10,11);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C8H6NO4
Molecular Weight 180.1375
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula K
Molecular Weight 39.0983
Charge 1
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 Mon Mar 31 23:14:07 GMT 2025
Edited
by admin
on Mon Mar 31 23:14:07 GMT 2025
Record UNII
8WSL06B4SU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-4-NITROBENZOIC ACID, POTASSIUM SALT
Preferred Name English
POTASSIUM 3-METHYL-4-NITROBENZOATE
Systematic Name English
BENZOIC ACID, 3-METHYL-4-NITRO-, POTASSIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
19205460
Created by admin on Mon Mar 31 23:14:07 GMT 2025 , Edited by admin on Mon Mar 31 23:14:07 GMT 2025
PRIMARY
CAS
1086406-21-4
Created by admin on Mon Mar 31 23:14:07 GMT 2025 , Edited by admin on Mon Mar 31 23:14:07 GMT 2025
PRIMARY
FDA UNII
8WSL06B4SU
Created by admin on Mon Mar 31 23:14:07 GMT 2025 , Edited by admin on Mon Mar 31 23:14:07 GMT 2025
PRIMARY