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

Details

Stereochemistry RACEMIC
Molecular Formula C9H10O4
Molecular Weight 182.1733
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde

SMILES

OCC1=CC(=CC=C1O)C(O)C=O

InChI

InChIKey=BMNRWZCHNOLSJD-UHFFFAOYSA-N
InChI=1S/C9H10O4/c10-4-7-3-6(9(13)5-11)1-2-8(7)12/h1-3,5,9-10,12-13H,4H2

HIDE SMILES / InChI

Molecular Formula C9H10O4
Molecular Weight 182.1733
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:21:43 GMT 2023
Edited
by admin
on Sat Dec 16 20:21:43 GMT 2023
Record UNII
XC26RVX6Z5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)acetaldehyde
Systematic Name English
α,4-Dihydroxy-3-(hydroxymethyl)benzeneacetaldehyde
Systematic Name English
Benzeneacetaldehyde, α,4-dihydroxy-3-(hydroxymethyl)-
Systematic Name English
Code System Code Type Description
CAS
1239368-65-0
Created by admin on Sat Dec 16 20:21:43 GMT 2023 , Edited by admin on Sat Dec 16 20:21:43 GMT 2023
PRIMARY
PUBCHEM
91757337
Created by admin on Sat Dec 16 20:21:43 GMT 2023 , Edited by admin on Sat Dec 16 20:21:43 GMT 2023
PRIMARY
FDA UNII
XC26RVX6Z5
Created by admin on Sat Dec 16 20:21:43 GMT 2023 , Edited by admin on Sat Dec 16 20:21:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY