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Substance Name: Butin
RN: 492-14-8
InChIKey: MJBPUQUGJNAPAZ-AWEZNQCLSA-N

Note

  • Isolated from seeds of Butea monosperma.

Molecular Formula

  • C15-H12-O5

Molecular Weight

  • 272.255
 
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Names and Synonyms

Name of Substance

  • Butin

Systematic Name

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (S)-

Registry Numbers

CAS Registry Number

  • 492-14-8

System Generated Number

  • 0000492148

Structure Descriptors

InChI

1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1

InChIKey

MJBPUQUGJNAPAZ-AWEZNQCLSA-N

Smiles

c12O[C@H](c3cc(O)c(cc3)O)CC(c1ccc(c2)O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 1490 mg/L 25 EST
Vapor Pressure 1.38E-10 mm Hg 25 EST
Henry's Law Constant 2.33E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.47E-10 cm3/molecule-sec 25 EST

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