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Substance Name: 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxyphenyl)-, (S)-
RN: 104732-07-2
InChIKey: NJWJQMLMBXIOJW-UHFFFAOYSA-N

Molecular Formula

  • C15-H12-O5

Molecular Weight

  • 272.255
 
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Names and Synonyms

Synonym

  • 5,7-Dihydroxy-2-(3-hydroxyphenyl)chroman-4-one

Systematic Name

  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxyphenyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 104732-07-2

System Generated Number

  • 0104732072

Structure Descriptors

InChI

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

InChIKey

NJWJQMLMBXIOJW-UHFFFAOYSA-N

Smiles

c12C(C[C@@H](Oc1cc(cc2O)O)c1cc(O)ccc1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.61 (none)   EXP
Water Solubility 398 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.