3-Hydroxyflavone

CAT: 0127-OR1153-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

577-85-5

Synonyms

3-Hydroxy-2-phenyl-4H-chromen-4-one, 3-Hydroxy-4-oxo-2-phenyl-4H-1-benzopyran, Flavonol

MDL Number

MFCD00006832

Purity

95%

Smiles

O=C1C(Oc2ccccc2C1=O)c3ccccc3

Chemical Information

Flavonol

Flavonol is a monohydroxyflavone that is the 3-hydroxy derivative of flavone. It is a member of flavonols and a monohydroxyflavone. It is a conjugate acid of a flavonol(1-).

CAS Number	577-85-5
PubChem CID	11349
IUPAC Name	3-hydroxy-2-phenylchromen-4-one
Molecular Formula	C15H10O3
Molecular Weight	238.24
XLogP	3.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	366

SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O

InChI

InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H

InChIKey

HVQAJTFOCKOKIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 577-85-5

CID: 11349

Formula: C15H10O3

MW: 238.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	238.24
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	238.062994177
Monoisotopic Mass	238.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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3-Hydroxyflavone

Chemical Information

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