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Substance Name: 5-Methylangelicin
RN: 73459-03-7
InChIKey: ZJVOHJVSTORGLI-UHFFFAOYSA-N

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3

Molecular Formula

  • C12-H8-O3

Molecular Weight

  • 200.192
 
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Names and Synonyms

Name of Substance

  • 5-Methylangelicin

Synonyms

  • 4-Hydroxy-6-methyl-5-benzofuranacrylic acid gamma-lactone
  • 5-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one
  • 5-Methylangelicin
  • 5-Methylisopsoralen
  • BRN 4428822

Systematic Names

  • 2H-Furo(2,3-h)(1)benzopyran-2-one, 5-methyl-
  • 2H-Furo(2,3-h)-1-benzopyran-2-one, 5-methyl-

Registry Numbers

CAS Registry Number

  • 73459-03-7

System Generated Number

  • 0073459037

Structure Descriptors

InChI

1S/C12H8O3/c1-7-6-10-9(4-5-14-10)12-8(7)2-3-11(13)15-12/h2-6H,1H3

InChIKey

ZJVOHJVSTORGLI-UHFFFAOYSA-N

Smiles

c12c3c(c(C)cc1occ2)ccc(o3)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4312883,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.41 (none)   EXP
Water Solubility 382 mg/L 25 EST
Vapor Pressure 9.99E-06 mm Hg 25 EST
Henry's Law Constant 7.47E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.60E-11 cm3/molecule-sec 25 EST

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