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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 3-Methylphenylglyoxal monohydrate

SMILES

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

InChI

InChIKey=PYZRPDUYVRBPMI-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-6-3-2-4-7(5-6)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 19:48:40 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:40 GMT 2025
Record UNII
2YX36W6WUY
Record Status FAILED
Record Version
  • Download
Name Type Language
2,2-Dihydroxy-1-(3-methylphenyl)ethanone
Preferred Name English
3-Methylphenylglyoxal monohydrate
Common Name English
3-Methyl-?-oxobenzeneacetaldehyde monohydrate
Systematic Name English
Benzeneacetaldehyde, 3-methyl-?-oxo-, hydrate (1:1)
Systematic Name English
Ethanone, 2,2-dihydroxy-1-(3-methylphenyl)-
Systematic Name English
2,2-dihydroxy-1-(3-methylphenyl)ethan-1-one
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40611093
Created by admin on Wed Apr 02 19:48:40 GMT 2025 , Edited by admin on Wed Apr 02 19:48:40 GMT 2025
PRIMARY
CAS
1217018-11-5
Created by admin on Wed Apr 02 19:48:40 GMT 2025 , Edited by admin on Wed Apr 02 19:48:40 GMT 2025
ALTERNATIVE
FDA UNII
2YX36W6WUY
Created by admin on Wed Apr 02 19:48:40 GMT 2025 , Edited by admin on Wed Apr 02 19:48:40 GMT 2025
PRIMARY
CAS
118888-62-3
Created by admin on Wed Apr 02 19:48:40 GMT 2025 , Edited by admin on Wed Apr 02 19:48:40 GMT 2025
PRIMARY
PUBCHEM
14046170
Created by admin on Wed Apr 02 19:48:40 GMT 2025 , Edited by admin on Wed Apr 02 19:48:40 GMT 2025
PRIMARY
Related Record Type Details
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ANHYDROUS->SOLVATE