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7-Methoxyisoflavone 500mg

CAT: 0628-A17097-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A17097-500Size:500 mg
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CAS Number
1621-56-3

Chemical Information

7-Methoxyisoflavone

7-methoxyisoflavone is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7.

CAS Number1621-56-3
PubChem CID638006
IUPAC Name7-methoxy-3-phenylchromen-4-one
Molecular FormulaC16H12O3
Molecular Weight252.26
XLogP3.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity368
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
IECSQLKWZBEUGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxyisoflavone
CAS: 1621-56-3
CID: 638006
Formula: C16H12O3
MW: 252.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.26
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass252.078644241
Monoisotopic Mass252.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity368
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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