Benzo[a]pyrene 4,5-oxide

CAS Registry Number®

37574-47-3
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CAS Name

Benzo[a]pyrene 4,5-oxide

Molecular Formula

C20H12O

Molecular Mass

268.31

Cite this Page

Benzo[a]pyrene 4,5-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37574-47-3 (retrieved 2024-05-20) (CAS RN: 37574-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H

InChIKey

InChIKey=XGZQLNASOQVQTD-UHFFFAOYSA-N

SMILES

C12=C3C=4C5C(C1=CC=6C(C2=CC=C3C=CC4)=CC=CC6)O5

Canonical SMILES

O1C2C=3C=CC=C4C=CC=5C=6C=CC=CC6C=C(C5C43)C12

Other Names for this Substance

  • Benzo[1,2]pyreno[4,5-b]oxirene, 3b,4a-dihydro-
  • 3b,4a-Dihydrobenzo[1,2]pyreno[4,5-b]oxirene
  • Benzo[a]pyrene 4,5-oxide
  • Benzo[a]pyrene 4,5-epoxide
  • Benzopyrene 4,5-epoxide

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Deleted or Replaced CAS Registry Numbers

64437-52-1

CAS INSIGHTSTM
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