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7,8-Dimethoxyflavanone

CAT: 0926-XD182833-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-XD182833-04Size:100 mg
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CAS Number
73413-67-9
Smiles
COC1=C (C2=C (C=C1) C (=O) CC (O2) C3=CC=CC=C3) OC
Molecular Formula
C17H16O4
Molecular Weight
284.31 g/mol
Controlled
No

Chemical Information

7,8-Dimethoxyflavanone

7,8-Dimethoxyflavanone has been reported in Tetragonia tetragonoides with data available.

CAS Number73413-67-9
PubChem CID15458308
IUPAC Name7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP2.8
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
COC1=C(C2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H16O4/c1-19-14-9-8-12-13(18)10-15(11-6-4-3-5-7-11)21-16(12)17(14)20-2/h3-9,15H,10H2,1-2H3
InChIKey
FBVLIZHTSCLZRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,8-Dimethoxyflavanone
CAS: 73413-67-9
CID: 15458308
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass284.10485899
Monoisotopic Mass284.10485899
Topological Polar Surface Area44.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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