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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 2-Methylphenylglyoxal monohydrate

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C9H10O3
Molecular Weight 166.1742
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 Wed Apr 02 19:25:54 GMT 2025
Edited
by admin
on Wed Apr 02 19:25:54 GMT 2025
Record UNII
X64Z67M6BM
Record Status FAILED
Record Version
  • Download
Name Type Language
2-Methyl-?-oxobenzeneacetaldehyde monohydrate
Preferred Name English
2-Methylphenylglyoxal monohydrate
Common Name English
Ethanone, 2,2-dihydroxy-1-(2-methylphenyl)-
Systematic Name English
Benzeneacetaldehyde, 2-methyl-?-oxo-, hydrate (1:1)
Systematic Name English
2,2-Dihydroxy-1-(2-methylphenyl)ethanone
Systematic Name English
Benzeneacetaldehyde, 2-methyl-?-oxo-, monohydrate
Systematic Name English
2,2-dihydroxy-1-(2-methylphenyl)ethan-1-one
Systematic Name English
Code System Code Type Description
FDA UNII
X64Z67M6BM
Created by admin on Wed Apr 02 19:25:54 GMT 2025 , Edited by admin on Wed Apr 02 19:25:54 GMT 2025
PRIMARY
PUBCHEM
14046169
Created by admin on Wed Apr 02 19:25:54 GMT 2025 , Edited by admin on Wed Apr 02 19:25:54 GMT 2025
PRIMARY
CAS
1378827-15-6
Created by admin on Wed Apr 02 19:25:54 GMT 2025 , Edited by admin on Wed Apr 02 19:25:54 GMT 2025
ALTERNATIVE
CAS
118888-61-2
Created by admin on Wed Apr 02 19:25:54 GMT 2025 , Edited by admin on Wed Apr 02 19:25:54 GMT 2025
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE