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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H12O
Molecular Weight 244.2873
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-ACETYLPYRENE

SMILES

CC(=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34

InChI

InChIKey=KCIJNJVCFPSUBQ-UHFFFAOYSA-N
InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3

HIDE SMILES / InChI

Molecular Formula C18H12O
Molecular Weight 244.2873
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 Tue Apr 01 19:30:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:28 GMT 2025
Record UNII
V74HO8A2YT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-62422
Preferred Name English
1-ACETYLPYRENE
Systematic Name English
KETONE, METHYL 1-PYRENYL
Systematic Name English
METHYL 1-PYRENYL KETONE
Systematic Name English
ETHANONE, 1-(1-PYRENYL)-
Systematic Name English
1-(1-PYRENYL)ETHANONE
Systematic Name English
Code System Code Type Description
FDA UNII
V74HO8A2YT
Created by admin on Tue Apr 01 19:30:28 GMT 2025 , Edited by admin on Tue Apr 01 19:30:28 GMT 2025
PRIMARY
NSC
62422
Created by admin on Tue Apr 01 19:30:28 GMT 2025 , Edited by admin on Tue Apr 01 19:30:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID10186324
Created by admin on Tue Apr 01 19:30:28 GMT 2025 , Edited by admin on Tue Apr 01 19:30:28 GMT 2025
PRIMARY
CAS
3264-21-9
Created by admin on Tue Apr 01 19:30:28 GMT 2025 , Edited by admin on Tue Apr 01 19:30:28 GMT 2025
PRIMARY
PUBCHEM
96251
Created by admin on Tue Apr 01 19:30:28 GMT 2025 , Edited by admin on Tue Apr 01 19:30:28 GMT 2025
PRIMARY