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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O3
Molecular Weight 166.1742
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methylphenylglyoxal monohydrate

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Methylphenylglyoxal monohydrate
Common Name English
NSC-402744
Preferred Name English
Benzeneacetaldehyde, 4-methyl-?-oxo-, monohydrate
Systematic Name English
Ethanone, 2,2-dihydroxy-1-(4-methylphenyl)-
Systematic Name English
Benzeneacetaldehyde, 4-methyl-?-oxo-, hydrate (1:1)
Systematic Name English
2,2-dihydroxy-1-(4-methylphenyl)ethan-1-one
Systematic Name English
2,2-Dihydroxy-1-(4-methylphenyl)ethanone
Systematic Name English
4-Methyl-?-oxobenzeneacetaldehyde monohydrate
Systematic Name English
Code System Code Type Description
CAS
16208-14-3
Created by admin on Wed Apr 02 20:05:42 GMT 2025 , Edited by admin on Wed Apr 02 20:05:42 GMT 2025
PRIMARY
PUBCHEM
345269
Created by admin on Wed Apr 02 20:05:42 GMT 2025 , Edited by admin on Wed Apr 02 20:05:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID80936636
Created by admin on Wed Apr 02 20:05:42 GMT 2025 , Edited by admin on Wed Apr 02 20:05:42 GMT 2025
PRIMARY
NSC
402744
Created by admin on Wed Apr 02 20:05:42 GMT 2025 , Edited by admin on Wed Apr 02 20:05:42 GMT 2025
PRIMARY
CAS
7466-72-0
Created by admin on Wed Apr 02 20:05:42 GMT 2025 , Edited by admin on Wed Apr 02 20:05:42 GMT 2025
ALTERNATIVE
FDA UNII
F55PFY5UE4
Created by admin on Wed Apr 02 20:05:42 GMT 2025 , Edited by admin on Wed Apr 02 20:05:42 GMT 2025
PRIMARY