3-Hydroxybenzo[a]pyrene

CAS Registry Number®

13345-21-6

CAS Name

3-Hydroxybenzo[a]pyrene

Molecular Formula

C20H12O

Molecular Mass

268.31

Cite this Page

3-Hydroxybenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13345-21-6 (retrieved 2024-11-22) (CAS RN: 13345-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226-227 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H

InChIKey

InChIKey=SPUUWWRWIAEPDB-UHFFFAOYSA-N

SMILES

OC1=C2C3=C4C(C=5C(C=C4C=C2)=CC=CC5)=CC=C3C=C1

Canonical SMILES

OC1=CC=C2C=CC=3C=4C=CC=CC4C=C5C=CC1=C2C53

Other Names for this Substance

  • Benzo[a]pyren-3-ol
  • 3-Hydroxy-3,4-benzo[a]pyrene
  • 3-Hydroxybenzopyrene
  • 3-Hydroxybenzo[a]pyrene

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