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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O5
Molecular Weight 212.1993
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Hydroxy-3,5-dimethoxyphenylacetic acid

SMILES

COC1=CC(CC(O)=O)=CC(OC)=C1O

InChI

InChIKey=BQBQKSSTFGCRQL-UHFFFAOYSA-N
InChI=1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H12O5
Molecular Weight 212.1993
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 Tue Apr 01 19:17:37 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:37 GMT 2025
Record UNII
PF87DAP3MK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Hydroxy-3,5-dimethoxybenzeneacetic acid
Preferred Name English
4-Hydroxy-3,5-dimethoxyphenylacetic acid
Systematic Name English
Benzeneacetic acid, 4-hydroxy-3,5-dimethoxy-
Systematic Name English
Code System Code Type Description
CAS
4385-56-2
Created by admin on Tue Apr 01 19:17:37 GMT 2025 , Edited by admin on Tue Apr 01 19:17:37 GMT 2025
PRIMARY
FDA UNII
PF87DAP3MK
Created by admin on Tue Apr 01 19:17:37 GMT 2025 , Edited by admin on Tue Apr 01 19:17:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID60195961
Created by admin on Tue Apr 01 19:17:37 GMT 2025 , Edited by admin on Tue Apr 01 19:17:37 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-494-4
Created by admin on Tue Apr 01 19:17:37 GMT 2025 , Edited by admin on Tue Apr 01 19:17:37 GMT 2025
PRIMARY
PUBCHEM
78093
Created by admin on Tue Apr 01 19:17:37 GMT 2025 , Edited by admin on Tue Apr 01 19:17:37 GMT 2025
PRIMARY