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88681-29-2 | 2,4-Pentadien-1-one, 5-phenyl-1-[4-(phenylamino)phenyl]-
CAS No: 88681-29-2 Catalog No: AG0047GF MDL No:
Product Description
Catalog Number:
AG0047GF
Chemical Name:
2,4-Pentadien-1-one, 5-phenyl-1-[4-(phenylamino)phenyl]-
CAS Number:
88681-29-2
Molecular Formula:
C23H19NO
Molecular Weight:
325.4031
IUPAC Name:
1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
InChI:
InChI=1S/C23H19NO/c25-23(14-8-7-11-19-9-3-1-4-10-19)20-15-17-22(18-16-20)24-21-12-5-2-6-13-21/h1-18,24H
InChI Key:
UAQSCPAYBPHTNP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Nc1ccccc1)C=CC=Cc1ccccc1
Properties
Complexity:
447
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:
1
Isotope Atom Count:
0
Molecular Weight:
325.411g/mol
Monoisotopic Mass:
325.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.3
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