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Substance Name: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-
RN: 24292-54-4
InChIKey: SYUIRXCFFYBPPV-AWEZNQCLSA-N

Molecular Weight

  • 272.255
 
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Names and Synonyms

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-

Registry Numbers

CAS Registry Number

  • 24292-54-4

System Generated Number

  • 0024292544

Structure Descriptors

InChI

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

InChIKey

SYUIRXCFFYBPPV-AWEZNQCLSA-N

Smiles

c12C(C[C@H](Oc1cccc2O)c1cc(O)c(cc1)O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.81 (none)   EXP
Water Solubility 269 mg/L 25 EST
Vapor Pressure 1.38E-10 mm Hg 25 EST
Henry's Law Constant 2.93E-17 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.