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NSC97312,18977-40-7, 2,6-bis(3-phenylprop-2-enylidene)cyclohexan-1-one

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摘 要:NSC97312,18977-40-7, 2,6-bis(3-phenylprop-2-enylidene)cyclohexan-1-one,Canonical SMILES: C1CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1,InChI: InChI=1/C24H22O/c25-24-22(16-7-14-20-10-3-1-4-11-20)18-9-19-23(24)17-8-,15-21-12-5-2-6-13-21/h1-8,10-17H,
[Synonyms]
NSC97312
18977-40-7

[Structure]
NSC97312,18977-40-7, 2,6-bis(3-phenylprop-2-enylidene)cyclohexan-1-one

[ Properties Computed from Structure]
Molecular Weight326.43088 [g/mol]
Molecular FormulaC24H22O
XLogP5.8
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count4
Exact Mass326.167065
MonoIsotopic Mass326.167065
Topological Polar Surface Area17.1
Heavy Atom Count25
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count4
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2,6-bis(3-phenylprop-2-enylidene)cyclohexan-1-one
Canonical SMILES: C1CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1
InChI: InChI=1/C24H22O/c25-24-22(16-7-14-20-10-3-1-4-11-20)18-9-19-23(24)17-8-
15-21-12-5-2-6-13-21/h1-8,10-17H,9,18-19H2

 
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