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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 6-Methylbenzo[a]pyrene

SMILES

CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C15

InChI

InChIKey=YFYHJNJCAGHSFA-UHFFFAOYSA-N
InChI=1S/C21H14/c1-13-16-7-2-3-8-18(16)19-12-10-15-6-4-5-14-9-11-17(13)21(19)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 Wed Apr 02 18:46:13 GMT 2025
Edited
by admin
on Wed Apr 02 18:46:13 GMT 2025
Record UNII
3RZA2C33TG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Methylbenzo[a]pyrene
Systematic Name English
5-Methyl-3,4-benzpyrene
Preferred Name English
Benzo[a]pyrene, 6-methyl
Systematic Name English
6-Methyl-3,4-benzopyrene
Common Name English
Methylbenzo(a)pyrene, 6-
Systematic Name English
6-Methylbenzo(def)chrysene
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00878544
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
219-179-3
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY
CAS
2381-39-7
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY
PUBCHEM
16935
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY
FDA UNII
3RZA2C33TG
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY