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8,3'-Dihydroxydaidzein

CAT: 0926-FD69741Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FD69741Size:1 mg
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CAS Number
176786-87-1
Synonyms
7,8,3',4'-Tetrahydroxyisoflavone
MDL Number
MFCD03427699
Smiles
Oc1ccc (cc1O) C2=COc3c (O) c (O) ccc3C2=O
Molecular Formula
C15H10O6
Molecular Weight
286.24 g/mol
Controlled
No

Chemical Information

7,8,3',4'-Tetrahydroxyisoflavone

7,8,3',4'-Tetrahydroxyisoflavone is a member of isoflavones.

CAS Number176786-87-1
PubChem CID42604622
IUPAC Name3-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one
Molecular FormulaC15H10O6
Molecular Weight286.24
XLogP1.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity447
SMILES
C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O)O
InChI
InChI=1S/C15H10O6/c16-10-3-1-7(5-12(10)18)9-6-21-15-8(13(9)19)2-4-11(17)14(15)20/h1-6,16-18,20H
InChIKey
VMOBWBRUROXCOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,8,3',4'-Tetrahydroxyisoflavone
CAS: 176786-87-1
CID: 42604622
Formula: C15H10O6
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass286.04773803
Monoisotopic Mass286.04773803
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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