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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxy-2-methyl-1-(4-propylphenyl)-1-propanone

SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)(C)O

InChI

InChIKey=VOGSBOVWPQXXAH-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,15H,4-5H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Hydroxy-2-methyl-1-(4-propylphenyl)-1-propanone
Systematic Name English
1-Propanone, 2-hydroxy-2-methyl-1-(4-propylphenyl)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID9071507
Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
270-041-9
Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025
PRIMARY
PUBCHEM
110190
Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025
PRIMARY
FDA UNII
D4L9VA93XP
Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025
PRIMARY
CAS
68400-52-2
Created by admin on Wed Apr 02 19:20:46 GMT 2025 , Edited by admin on Wed Apr 02 19:20:46 GMT 2025
PRIMARY