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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 8-Methylbenzo[a]pyrene

SMILES

CC1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45

InChI

InChIKey=DYXXRXZXTKRLFX-UHFFFAOYSA-N
InChI=1S/C21H14/c1-13-5-9-18-17(11-13)12-16-7-6-14-3-2-4-15-8-10-19(18)21(16)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 Sat Dec 16 08:31:25 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:25 GMT 2023
Record UNII
68W7EDK2MG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-Methylbenzo[a]pyrene
Systematic Name English
Benzo[a]pyrene, 8-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
44367
Created by admin on Sat Dec 16 08:31:25 GMT 2023 , Edited by admin on Sat Dec 16 08:31:25 GMT 2023
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CAS
63041-76-9
Created by admin on Sat Dec 16 08:31:25 GMT 2023 , Edited by admin on Sat Dec 16 08:31:25 GMT 2023
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FDA UNII
68W7EDK2MG
Created by admin on Sat Dec 16 08:31:25 GMT 2023 , Edited by admin on Sat Dec 16 08:31:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID00212363
Created by admin on Sat Dec 16 08:31:25 GMT 2023 , Edited by admin on Sat Dec 16 08:31:25 GMT 2023
PRIMARY