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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 9-Methylbenzo[a]pyrene

SMILES

CC1=CC=C2C=C3C=CC4=CC=CC5=C4C3=C(C=C5)C2=C1

InChI

InChIKey=PPGFLJQLUCRDDM-UHFFFAOYSA-N
InChI=1S/C21H14/c1-13-5-6-16-12-17-8-7-14-3-2-4-15-9-10-18(19(16)11-13)21(17)20(14)15/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 22:09:27 GMT 2025
Edited
by admin
on Mon Mar 31 22:09:27 GMT 2025
Record UNII
5LE42ZQ3QS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-Methylbenzo[a]pyrene
Systematic Name English
Benzo[a]pyrene, 9-methyl-
Preferred Name English
Code System Code Type Description
FDA UNII
5LE42ZQ3QS
Created by admin on Mon Mar 31 22:09:27 GMT 2025 , Edited by admin on Mon Mar 31 22:09:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID20220925
Created by admin on Mon Mar 31 22:09:27 GMT 2025 , Edited by admin on Mon Mar 31 22:09:27 GMT 2025
PRIMARY
PUBCHEM
51117
Created by admin on Mon Mar 31 22:09:27 GMT 2025 , Edited by admin on Mon Mar 31 22:09:27 GMT 2025
PRIMARY
CAS
70644-19-8
Created by admin on Mon Mar 31 22:09:27 GMT 2025 , Edited by admin on Mon Mar 31 22:09:27 GMT 2025
PRIMARY