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Substance Name: Coumetarol [INN:BAN:DCF]
RN: 4366-18-1
UNII: UO1VQB3SPZ
InChIKey: BUCJFFQZPGTGPX-UHFFFAOYSA-N

Molecular Formula

  • C21-H16-O7

Molecular Weight

  • 380.35
 
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Names and Synonyms

Name of Substance

  • Coumetarol
  • Coumetarol [INN:BAN:DCF]

Synonyms

  • Coumetarol
  • Coumetarolum
  • Coumetarolum [INN-Latin]
  • Cumetarol
  • Cumetarol [INN-Spanish]
  • Cumetarolo
  • Cumetarolo [DCIT]
  • Cumetharol
  • EINECS 224-455-1
  • UNII-UO1VQB3SPZ

Systematic Names

  • 3,3'-(2-Methoxyethylidene)bis(4-hydroxycoumarin)
  • Coumetarol

Registry Numbers

CAS Registry Number

  • 4366-18-1

FDA UNII

  • UO1VQB3SPZ

System Generated Number

  • 0004366181

Structure Descriptors

InChI

1S/C21H16O7/c1-26-10-13(16-18(22)11-6-2-4-8-14(11)27-20(16)24)17-19(23)12-7-3-5-9-15(12)28-21(17)25/h2-9,13,22-23H,10H2,1H3

InChIKey

BUCJFFQZPGTGPX-UHFFFAOYSA-N

Smiles

c1ccc2c(c(c(oc2c1)=O)C(c1c(c2c(oc1=O)cccc2)O)COC)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.38 (none)   EXP
Water Solubility 268 mg/L 25 EST
Vapor Pressure 4.84E-18 mm Hg 25 EST
Henry's Law Constant 2.11E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.57E-11 cm3/molecule-sec 25 EST

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