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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O4
Molecular Weight 224.253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-(2,2-dimethoxyethyl)benzoate

SMILES

COC(CC1=CC=CC(=C1)C(=O)OC)OC

InChI

InChIKey=COGTZHXNMLKFHY-UHFFFAOYSA-N
InChI=1S/C12H16O4/c1-14-11(15-2)8-9-5-4-6-10(7-9)12(13)16-3/h4-7,11H,8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Methyl 3-(2,2-dimethoxyethyl)benzoate
Systematic Name English
Benzoic acid, 3-(2,2-dimethoxyethyl)-, methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
AT32A4F225
Created by admin on Sat Dec 16 20:01:14 GMT 2023 , Edited by admin on Sat Dec 16 20:01:14 GMT 2023
PRIMARY
PUBCHEM
14817337
Created by admin on Sat Dec 16 20:01:14 GMT 2023 , Edited by admin on Sat Dec 16 20:01:14 GMT 2023
PRIMARY
CAS
134769-83-8
Created by admin on Sat Dec 16 20:01:14 GMT 2023 , Edited by admin on Sat Dec 16 20:01:14 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966