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Details

Stereochemistry ACHIRAL
Molecular Formula C21H14
Molecular Weight 266.3359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-Methylbenzo[a]pyrene

SMILES

CC1=CC2=CC=CC3=C2C4=C1C5=C(C=CC=C5)C=C4C=C3

InChI

InChIKey=ZWJRHJOLMBZEMI-UHFFFAOYSA-N
InChI=1S/C21H14/c1-13-11-16-7-4-6-14-9-10-17-12-15-5-2-3-8-18(15)19(13)21(17)20(14)16/h2-12H,1H3

HIDE SMILES / InChI

Molecular Formula C21H14
Molecular Weight 266.3359
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 Mon Mar 31 22:26:24 GMT 2025
Edited
by admin
on Mon Mar 31 22:26:24 GMT 2025
Record UNII
9SQ9H7EB6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzo[a]pyrene, 11-methyl-
Preferred Name English
11-Methylbenzo[a]pyrene
Systematic Name English
Code System Code Type Description
CAS
16757-80-5
Created by admin on Mon Mar 31 22:26:24 GMT 2025 , Edited by admin on Mon Mar 31 22:26:24 GMT 2025
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EPA CompTox
DTXSID40168310
Created by admin on Mon Mar 31 22:26:24 GMT 2025 , Edited by admin on Mon Mar 31 22:26:24 GMT 2025
PRIMARY
PUBCHEM
28035
Created by admin on Mon Mar 31 22:26:24 GMT 2025 , Edited by admin on Mon Mar 31 22:26:24 GMT 2025
PRIMARY
FDA UNII
9SQ9H7EB6J
Created by admin on Mon Mar 31 22:26:24 GMT 2025 , Edited by admin on Mon Mar 31 22:26:24 GMT 2025
PRIMARY