trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene

CAS Registry Number®

57404-88-3
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CAS Name

trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene

Molecular Formula

C20H14O2

Molecular Mass

286.32

Cite this Page

trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57404-88-3 (retrieved 2024-06-26) (CAS RN: 57404-88-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    216-217 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/s2

InChIKey

InChIKey=YDXRLMMGARHIIC-ODFXZGDXNA-N

SMILES

O[C@H]1C2=C(C=3C4=C5C(=CC3)C=CC=C5C=CC4=C2)C=C[C@@H]1O

Canonical SMILES

OC1C=CC2=C3C=CC4=CC=CC5=CC=C(C=C2C1O)C3=C54

Other Names for this Substance

  • Benzo[a]pyrene-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-
  • Benzo[a]pyrene-7,8-diol, 7,8-dihydro-, trans-
  • rel-(7R,8R)-7,8-Dihydrobenzo[a]pyrene-7,8-diol
  • trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene
  • trans-7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene

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Deleted or Replaced CAS Registry Numbers

61443-57-0

CAS INSIGHTSTM
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