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86864-18-8 | Benzonitrile, 3-(1-benzoyl-3-oxo-3-phenylpropyl)-
CAS No: 86864-18-8 Catalog No: AG004PJ4 MDL No:
Product Description
Catalog Number:
AG004PJ4
Chemical Name:
Benzonitrile, 3-(1-benzoyl-3-oxo-3-phenylpropyl)-
CAS Number:
86864-18-8
Molecular Formula:
C23H17NO2
Molecular Weight:
339.3866
IUPAC Name:
3-(1,4-dioxo-1,4-diphenylbutan-2-yl)benzonitrile
InChI:
InChI=1S/C23H17NO2/c24-16-17-8-7-13-20(14-17)21(23(26)19-11-5-2-6-12-19)15-22(25)18-9-3-1-4-10-18/h1-14,21H,15H2
InChI Key:
VYAVGIZKPIHNOK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(C(=O)c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.394g/mol
Monoisotopic Mass:
339.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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