Benzo[a]pyren-6-ol, 6-acetate

CAS Registry Number®

53555-67-2

CAS Name

Benzo[a]pyren-6-ol, 6-acetate

Molecular Formula

C22H14O2

Molecular Mass

310.35

Cite this Page

Benzo[a]pyren-6-ol, 6-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53555-67-2 (retrieved 2025-04-02) (CAS RN: 53555-67-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    209-210 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C22H14O2/c1-13(23)24-22-18-8-3-2-7-16(18)17-11-9-14-5-4-6-15-10-12-19(22)21(17)20(14)15/h2-12H,1H3

InChIKey

InChIKey=PSUANBYSDSSXCT-UHFFFAOYSA-N

SMILES

O(C(C)=O)C1=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=5C1=CC=CC5

Canonical SMILES

O=C(OC=1C=2C=CC=CC2C=3C=CC=4C=CC=C5C=CC1C3C54)C

Other Names for this Substance

  • Benzo[a]pyren-6-ol, 6-acetate
  • Benzo[a]pyren-6-ol, acetate
  • 6-Acetoxybenzo[a]pyrene
  • Benzo[a]pyrene-6-yl acetate
  • NSC 31001

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