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3'-Hydroxy-6-methylflavone

CAT: 0024-sc-299176ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-299176ASize:5 g
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CAS Number
468060-75-5

Chemical Information

3'-Hydroxy-6-methylflavone
CAS Number468060-75-5
PubChem CID11075942
IUPAC Name2-(3-hydroxyphenyl)-6-methylchromen-4-one
Molecular FormulaC16H12O3
Molecular Weight252.26
XLogP3.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity387
SMILES
CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC=C3)O
InChI
InChI=1S/C16H12O3/c1-10-5-6-15-13(7-10)14(18)9-16(19-15)11-3-2-4-12(17)8-11/h2-9,17H,1H3
InChIKey
BNOQFZSTTRNHCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxy-6-methylflavone
CAS: 468060-75-5
CID: 11075942
Formula: C16H12O3
MW: 252.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.26
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass252.078644241
Monoisotopic Mass252.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity387
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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