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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-acetyl-2-methoxybenzoate

SMILES

COC(=O)C1=CC(=CC=C1OC)C(C)=O

InChI

InChIKey=KPDRDAXDDZAPHS-UHFFFAOYSA-N
InChI=1S/C11H12O4/c1-7(12)8-4-5-10(14-2)9(6-8)11(13)15-3/h4-6H,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 5-acetyl-2-methoxybenzoate
Systematic Name English
Benzoic acid, 5-acetyl-2-methoxy-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
39971-36-3
Created by admin on Sat Dec 16 19:32:09 GMT 2023 , Edited by admin on Sat Dec 16 19:32:09 GMT 2023
PRIMARY
FDA UNII
6US6NQJ3TQ
Created by admin on Sat Dec 16 19:32:09 GMT 2023 , Edited by admin on Sat Dec 16 19:32:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID20193009
Created by admin on Sat Dec 16 19:32:09 GMT 2023 , Edited by admin on Sat Dec 16 19:32:09 GMT 2023
PRIMARY
PUBCHEM
606426
Created by admin on Sat Dec 16 19:32:09 GMT 2023 , Edited by admin on Sat Dec 16 19:32:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-721-2
Created by admin on Sat Dec 16 19:32:09 GMT 2023 , Edited by admin on Sat Dec 16 19:32:09 GMT 2023
PRIMARY