3-Methylbenzo[a]pyrene

CAS Registry Number®

16757-81-6
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CAS Name

3-Methylbenzo[a]pyrene

Molecular Formula

C21H14

Molecular Mass

266.34

Cite this Page

3-Methylbenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16757-81-6 (retrieved 2024-05-16) (CAS RN: 16757-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147.5-148 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PIAGFISXZFTFAL-UHFFFAOYSA-N

SMILES

CC1=C2C3=C4C(C=5C(C=C4C=C2)=CC=CC5)=CC=C3C=C1

Canonical SMILES

C=1C=CC2=C(C1)C=C3C=CC=4C(=CC=C5C=CC2=C3C54)C

Other Names for this Substance

  • Benzo[a]pyrene, 3-methyl-
  • 3-Methylbenzo[a]pyrene
  • 3-Methylbenz[a]pyrene
  • 3-Methyl-benzo[def]chrysene

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