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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O4
Molecular Weight 194.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-acetyl-2-hydroxybenzoate

SMILES

COC(=O)C1=C(O)C(=CC=C1)C(C)=O

InChI

InChIKey=APYIKEJEROJJIK-UHFFFAOYSA-N
InChI=1S/C10H10O4/c1-6(11)7-4-3-5-8(9(7)12)10(13)14-2/h3-5,12H,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H10O4
Molecular Weight 194.184
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 Sat Dec 16 20:20:28 GMT 2023
Edited
by admin
on Sat Dec 16 20:20:28 GMT 2023
Record UNII
7ZX4KP8PGT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3-acetyl-2-hydroxybenzoate
Systematic Name English
Benzoic acid,3-acetyl-2-hydroxy-,methyl ester
Systematic Name English
Methyl 3-acetylsalicylate
Common Name English
Code System Code Type Description
CAS
77527-00-5
Created by admin on Sat Dec 16 20:20:28 GMT 2023 , Edited by admin on Sat Dec 16 20:20:28 GMT 2023
PRIMARY
FDA UNII
7ZX4KP8PGT
Created by admin on Sat Dec 16 20:20:28 GMT 2023 , Edited by admin on Sat Dec 16 20:20:28 GMT 2023
PRIMARY
PUBCHEM
13037297
Created by admin on Sat Dec 16 20:20:28 GMT 2023 , Edited by admin on Sat Dec 16 20:20:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY