6-Methylbenzo[a]pyrene

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NCATS

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

Structure Search

SMILES

CC1=C2C=CC=CC2=C3C=CC4=CC=CC5=C4C3=C1C=C5

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 `Sat Dec 16 20:17:05 GMT 2023` Edited by `admin` on `Sat Dec 16 20:17:05 GMT 2023`
Record UNII	3RZA2C33TG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Methylbenzo[a]pyrene

Systematic Name

English

Benzo[a]pyrene, 6-methyl

Systematic Name

English

6-Methyl-3,4-benzopyrene

Common Name

English

5-Methyl-3,4-benzpyrene

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 Sat Dec 16 20:17:05 GMT 2023 , Edited by admin on Sat Dec 16 20:17:05 GMT 2023

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ECHA (EC/EINECS)

219-179-3

Created by admin on Sat Dec 16 20:17:05 GMT 2023 , Edited by admin on Sat Dec 16 20:17:05 GMT 2023

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CAS

2381-39-7

Created by admin on Sat Dec 16 20:17:05 GMT 2023 , Edited by admin on Sat Dec 16 20:17:05 GMT 2023

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PUBCHEM

16935

Created by admin on Sat Dec 16 20:17:05 GMT 2023 , Edited by admin on Sat Dec 16 20:17:05 GMT 2023

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FDA UNII

3RZA2C33TG

Created by admin on Sat Dec 16 20:17:05 GMT 2023 , Edited by admin on Sat Dec 16 20:17:05 GMT 2023

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