U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O2
Molecular Weight 176.2118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPIONYL ACETOPHENONE

SMILES

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

InChI

InChIKey=NKXMBTKMOVMBPH-UHFFFAOYSA-N
InChI=1S/C11H12O2/c1-2-10(12)8-11(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H12O2
Molecular Weight 176.2118
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:46:12 GMT 2025
Edited
by admin
on Mon Mar 31 17:46:12 GMT 2025
Record UNII
AMW81O2630
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-2310
Preferred Name English
PROPIONYL ACETOPHENONE
Systematic Name English
1,3-PENTANEDIONE, 1-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10201460
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
PRIMARY
CAS
5331-64-6
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
PRIMARY
PUBCHEM
21408
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
PRIMARY
FDA UNII
AMW81O2630
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-232-4
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
PRIMARY
NSC
2310
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
PRIMARY
NCI_THESAURUS
C84112
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Mon Mar 31 17:46:12 GMT 2025 , Edited by admin on Mon Mar 31 17:46:12 GMT 2025
CONCEPT Industrial Aid