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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O3
Molecular Weight 166.1739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone

SMILES

CC(=O)C1=CC=C(O)C(CO)=C1

InChI

InChIKey=VRNWCXMMNFZAJN-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-6(11)7-2-3-9(12)8(4-7)5-10/h2-4,10,12H,5H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone
Systematic Name English
4′-Hydroxy-3′-(hydroxymethyl)acetophenone
Systematic Name English
Ethanone,1-[4-hydroxy-3-(hydroxymethyl)phenyl]-(9CI, ACI)
Systematic Name English
Code System Code Type Description
CAS
39235-58-0
Created by admin on Sat Dec 16 20:21:50 GMT 2023 , Edited by admin on Sat Dec 16 20:21:50 GMT 2023
PRIMARY
FDA UNII
LEG3J2B3HY
Created by admin on Sat Dec 16 20:21:50 GMT 2023 , Edited by admin on Sat Dec 16 20:21:50 GMT 2023
PRIMARY
PUBCHEM
659427
Created by admin on Sat Dec 16 20:21:50 GMT 2023 , Edited by admin on Sat Dec 16 20:21:50 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