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Substance Name: Benzo(a)pyrene-6-carboxaldehyde
RN: 13312-42-0
InChIKey: JYHGZHPGIQQNJP-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C21-H12-O

Molecular Weight

  • 280.325
 
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Names and Synonyms

Synonyms

  • 3,4-Benzpyrene-5-aldehyde
  • 3-07-00-02901 (Beilstein Handbook Reference)
  • 6-Formylbenzo(a)pyrene
  • BRN 2126623

Systematic Name

  • Benzo(a)pyrene-6-carboxaldehyde

Registry Numbers

CAS Registry Number

  • 13312-42-0

System Generated Number

  • 0013312420

Structure Descriptors

InChI

1S/C21H12O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H

InChIKey

JYHGZHPGIQQNJP-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(cccc1)c(c2ccc3ccc4)C=O