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Details

Stereochemistry RACEMIC
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-1-PHENYL-1-PENTANONE

SMILES

CC(O)CCC(=O)C1=CC=CC=C1

InChI

InChIKey=BFPGHQLMXCDMGY-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
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 Mon Mar 31 23:24:23 GMT 2025
Edited
by admin
on Mon Mar 31 23:24:23 GMT 2025
Record UNII
B01J240B7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PENTANONE, 4-HYDROXY-1-PHENYL-
Preferred Name English
4-HYDROXY-1-PHENYL-1-PENTANONE
Systematic Name English
VALEROPHENONE, 4-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
B01J240B7J
Created by admin on Mon Mar 31 23:24:23 GMT 2025 , Edited by admin on Mon Mar 31 23:24:23 GMT 2025
PRIMARY
CAS
27927-59-9
Created by admin on Mon Mar 31 23:24:23 GMT 2025 , Edited by admin on Mon Mar 31 23:24:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID60950618
Created by admin on Mon Mar 31 23:24:23 GMT 2025 , Edited by admin on Mon Mar 31 23:24:23 GMT 2025
PRIMARY
PUBCHEM
154889
Created by admin on Mon Mar 31 23:24:23 GMT 2025 , Edited by admin on Mon Mar 31 23:24:23 GMT 2025
PRIMARY