3-Hydroxy-7,2'-dimethoxyflavone

CAT: 0926-XH183022-02Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-XH183022-02Size:2 g

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CAS Number

29219-05-4

Smiles

O=C1C (O) =C (OC2=CC (OC) =CC=C21) C=3C=CC=CC3OC

Molecular Formula

C17H14O5

Molecular Weight

298.29 g/mol

Controlled

Chemical Information

7,2'-Dimethoxy-3-hydroxyflavone

CAS Number	29219-05-4
PubChem CID	14440496
IUPAC Name	3-hydroxy-7-methoxy-2-(2-methoxyphenyl)chromen-4-one
Molecular Formula	C17H14O5
Molecular Weight	298.29
XLogP	3
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	458

SMILES

COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C17H14O5/c1-20-10-7-8-11-14(9-10)22-17(16(19)15(11)18)12-5-3-4-6-13(12)21-2/h3-9,19H,1-2H3

InChIKey

AUHNLDYVWGLTFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29219-05-4

CID: 14440496

Formula: C17H14O5

MW: 298.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.29
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	298.08412354
Monoisotopic Mass	298.08412354
Topological Polar Surface Area	65 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	458
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

Catalog	Name
HY-N9991	5-Hydroxy-3,7-dimethoxyflavone
MBS5752123	5-hydroxy-7,8-dimethoxyflavone
TRC-D460948-500MG	7,3'-Dimethoxyflavone
TRC-D461113-1G	3,2'-Dimethoxyflavone
M20435-01	5-hydroxy-78-dimethoxyflavone
sc-233699	7,8-Dimethoxyflavone
C09223	5,7-Dimethoxyflavone
TBZ1245	5,3'-Dihydroxy-7,4'-dimethoxyflavone
379124	3,5-Dihydroxy-4',7-dimethoxyflavone
OR1023898-01	5,7,4Trihydroxy-3,5-Dimethoxyflavone