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Substance Name: Benzo(a)pyren-6-ol, acetate
RN: 53555-67-2
InChIKey: PSUANBYSDSSXCT-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C22-H14-O2

Molecular Weight

  • 310.351
 
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Names and Synonyms

Synonyms

  • 3-06-00-03810 (Beilstein Handbook Reference)
  • 6-Acetoxy-benzo(a)pyrene
  • Benzo(a)pyrene-6-yl acetate
  • BRN 2058877
  • CCRIS 731
  • NSC 31001

Systematic Names

  • 6-Acetoxybenzo(a)pyrene
  • Benzo(a)pyren-6-ol, acetate

Registry Numbers

CAS Registry Number

  • 53555-67-2

System Generated Number

  • 0053555672

Structure Descriptors

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

PSUANBYSDSSXCT-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(cccc1)c(c2ccc3ccc4)OC(C)=O