Flavone Impurity 1

CAT: 1596-AR-F10127-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10127-02Size:25 Units

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CAS Number

94388-77-9

Synonyms

3- (2,4-dihydroxyphenyl) -7-hydroxychroman-4-one

Molecular Formula

C15H12O5

Molecular Weight

272.26

API Name

Flavone

Chemical Information

2'-Hydroxydihydrodaidzein

2'-hydroxy-2,3-dihydrodaidzein is a hydroxyisoflavanone that is 2,3-dihydrodaidzein with an additonal hydroxy substituent at position 2'. It is functionally related to a daidzein.

CAS Number	94388-77-9
PubChem CID	440047
IUPAC Name	3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Molecular Formula	C15H12O5
Molecular Weight	272.25
XLogP	2
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	371

SMILES

C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O

InChI

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

InChIKey

WBOWBLGZAXVREM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94388-77-9

CID: 440047

Formula: C15H12O5

MW: 272.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	272.25
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	272.06847348
Monoisotopic Mass	272.06847348
Topological Polar Surface Area	87 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	371
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Flavone Impurity 1

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