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Chalcone

CAT: 0926-FC70529-01Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0926-FC70529-01Size:1000 g
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CAS Number
94-41-7
Synonyms
Benzylidene acetophenone
MDL Number
MFCD00003082
Smiles
C1=CC=C (C=C1) /C=C/C (=O) C2=CC=CC=C2
Molecular Formula
C15H12O
Molecular Weight
208.26 g/mol
Controlled
No

Chemical Information

Chalcone

Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a member of chalcones and a member of styrenes.

CAS Number94-41-7
PubChem CID637760
IUPAC Name(E)-1,3-diphenylprop-2-en-1-one
Molecular FormulaC15H12O
Molecular Weight208.25
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity242
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey
DQFBYFPFKXHELB-VAWYXSNFSA-N
Chemical Structure
2D Structure
2D structure of Chalcone
CAS: 94-41-7
CID: 637760
Formula: C15H12O
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass208.088815002
Monoisotopic Mass208.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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