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7-Methoxyflavone

CAT: 0926-FM68014-04Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-FM68014-04Size:500 g
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CAS Number
22395-22-8
MDL Number
MFCD00017462
Smiles
COC1=CC2=C (C=C1) C (=O) C=C (O2) C3=CC=CC=C3
Molecular Formula
C16H12O3
Molecular Weight
252.26 g/mol
Controlled
No

Chemical Information

7-Methoxyflavone

7-Methoxyflavone is an ether and a member of flavonoids.

CAS Number22395-22-8
PubChem CID466268
IUPAC Name7-methoxy-2-phenylchromen-4-one
Molecular FormulaC16H12O3
Molecular Weight252.26
XLogP3.9
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=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
QKNDCRMJDZLFEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxyflavone
CAS: 22395-22-8
CID: 466268
Formula: C16H12O3
MW: 252.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight252.26
XLogP33.9
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