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Substance Name: 4'-Methylangelicin
RN: 78982-40-8
InChIKey: NHOICFAHZSXGJY-UHFFFAOYSA-N

Molecular Formula

  • C12-H8-O3

Molecular Weight

  • 200.1922
 
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Names and Synonyms

Name of Substance

  • 4'-Methylangelicin

Synonyms

  • 4'-Methylangelicin
  • 9-Methylangelicin

Systematic Name

  • 2H-Furo(2,3-h)-1-benzopyran-2-one, 9-methyl-

Registry Numbers

CAS Registry Number

  • 78982-40-8

System Generated Number

  • 0078982408

Structure Descriptors

InChI

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

InChIKey

NHOICFAHZSXGJY-UHFFFAOYSA-N

Smiles

Cc1coc2c1c3c(cc2)ccc(=O)o3

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.38 (none)   EXP
Water Solubility 405 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.