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29512-14-9 | Benzonitrile, 4-(4-oxo-2,4-diphenylbutyl)-
CAS No: 29512-14-9 Catalog No: AG002YLJ MDL No:
Product Description
Catalog Number:
AG002YLJ
Chemical Name:
Benzonitrile, 4-(4-oxo-2,4-diphenylbutyl)-
CAS Number:
29512-14-9
Molecular Formula:
C23H19NO
Molecular Weight:
325.4031
IUPAC Name:
4-(4-oxo-2,4-diphenylbutyl)benzonitrile
InChI:
InChI=1S/C23H19NO/c24-17-19-13-11-18(12-14-19)15-22(20-7-3-1-4-8-20)16-23(25)21-9-5-2-6-10-21/h1-14,22H,15-16H2
InChI Key:
DTTXHISFSDOKJM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CC(c1ccccc1)CC(=O)c1ccccc1
NSC Number:
103102
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.411g/mol
Monoisotopic Mass:
325.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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