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Substance Name: Benz(a)anthracene, 7,11-dimethyl-
RN: 35187-28-1
InChIKey: CDDPPWIZRARCKC-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C20-H16

Molecular Weight

  • 256.346
 
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Names and Synonyms

Synonyms

  • 3-05-00-02413 (Beilstein Handbook Reference)
  • 7,11-Dimethylbenz(a)anthracene
  • 8,10-Dimethyl-1,2-benzanthracene
  • BRN 3277225

Systematic Name

  • Benz(a)anthracene, 7,11-dimethyl-

Registry Numbers

CAS Registry Number

  • 35187-28-1

System Generated Number

  • 0035187281

Structure Descriptors

InChI

1S/C20H16/c1-13-6-5-9-16-14(2)17-11-10-15-7-3-4-8-18(15)20(17)12-19(13)16/h3-12H,1-2H3

InChIKey

CDDPPWIZRARCKC-UHFFFAOYSA-N

Smiles

c12c(c(c3cccc(c3c2)C)C)ccc2c1cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.620 (none)   EST
Water Solubility 3.79E-03 mg/L 25 EST
Vapor Pressure 1.14E-07 mm Hg 25 EST
Henry's Law Constant 6.10E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.