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Formononetin-7-acetate

CAT: 0926-XF161756-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-XF161756-01Size:1 mg
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CAS Number
13293-49-7
Synonyms
7- (Acetyloxy) -3- (4-methoxyphenyl) -4H-1-benzopyran-4-one;7-O-Acetylformononetin; Formononetin 7-O-acetate
Smiles
CC (=O) OC1=CC2=C (C=C1) C (=O) C (=CO2) C3=CC=C (C=C3) OC
Molecular Formula
C18H14O5
Molecular Weight
310.3 g/mol
Controlled
No

Chemical Information

3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate

3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate has been reported in Cyclopia intermedia and Wisteria brachybotrys with data available.

CAS Number13293-49-7
PubChem CID908827
IUPAC Name[3-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
Molecular FormulaC18H14O5
Molecular Weight310.3
XLogP2.9
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity490
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H14O5/c1-11(19)23-14-7-8-15-17(9-14)22-10-16(18(15)20)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3
InChIKey
GGGJVAAAUYBGSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate
CAS: 13293-49-7
CID: 908827
Formula: C18H14O5
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass310.08412354
Monoisotopic Mass310.08412354
Topological Polar Surface Area61.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity490
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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