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3-Phenylpropiophenone

CAT: 0024-sc-266835ASize: 1 gDry Ice: NoHazardous: No
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CAS Number
1083-30-3

Chemical Information

Dihydrochalcone

Dihydrochalcone is a member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. It has a role as a plant metabolite.

CAS Number1083-30-3
PubChem CID64802
IUPAC Name1,3-diphenylpropan-1-one
Molecular FormulaC15H14O
Molecular Weight210.27
XLogP3.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity209
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey
QGGZBXOADPVUPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrochalcone
CAS: 1083-30-3
CID: 64802
Formula: C15H14O
MW: 210.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.27
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass210.104465066
Monoisotopic Mass210.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity209
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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CatalogName
TRC-P399938-10G3-Phenylpropiophenone
P15075-013-Phenylpropiophenone 98%
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GTR19202217-01P-Phenylpropiophenone
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IH24242-012'-Hydroxy-3-phenylpropiophenone
274980-012'- (2,3-Epoxypropoxy) -3-phenylpropiophenone
MBS6110334-013',4'-Dimethoxy-1-phenylpropiophenone
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