3-Hydroxy-2',4',7-trimethoxyflavone

CAT: 0024-sc-266679Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-266679Size:1 g

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CAS Number

263365-51-1

Chemical Information

3-Hydroxy-2',4',7-trimethoxyflavone

CAS Number	263365-51-1
PubChem CID	688717
IUPAC Name	2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one
Molecular Formula	C18H16O6
Molecular Weight	328.3
XLogP	2.3
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	502

SMILES

COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O

InChI

InChI=1S/C18H16O6/c1-21-10-5-7-13(14(8-10)23-3)18-17(20)16(19)12-6-4-11(22-2)9-15(12)24-18/h4-9,20H,1-3H3

InChIKey

CPSQIOPVWINXFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 263365-51-1

CID: 688717

Formula: C18H16O6

MW: 328.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.3
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	328.09468823
Monoisotopic Mass	328.09468823
Topological Polar Surface Area	74.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	502
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
sc-276260	3-Hydroxy-4',7,8-trimethoxyflavone
sc-299063A	3-Hydroxy-2',7,8-trimethoxyflavone
sc-299063	3-Hydroxy-2',7,8-trimethoxyflavone
sc-299064A	3-Hydroxy-3',7,8-trimethoxyflavone
sc-299064	3-Hydroxy-3',7,8-trimethoxyflavone
sc-276587B	3',5-Dihydroxy-4',6,7-trimethoxyflavone
sc-276587C	3',5-Dihydroxy-4',6,7-trimethoxyflavone
sc-276587A	3',5-Dihydroxy-4',6,7-trimethoxyflavone
sc-276587	3',5-Dihydroxy-4',6,7-trimethoxyflavone
sc-291423B	6,2',4'-Trimethoxyflavone