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971-10-8 | 2,4-Pentadien-1-one, 5-phenyl-1-(2-quinolinyl)-
CAS No: 971-10-8 Catalog No: AG006NYG MDL No:
Product Description
Catalog Number:
AG006NYG
Chemical Name:
2,4-Pentadien-1-one, 5-phenyl-1-(2-quinolinyl)-
CAS Number:
971-10-8
Molecular Formula:
C20H15NO
Molecular Weight:
285.3392
IUPAC Name:
5-phenyl-1-quinolin-2-ylpenta-2,4-dien-1-one
InChI:
InChI=1S/C20H15NO/c22-20(13-7-4-10-16-8-2-1-3-9-16)19-15-14-17-11-5-6-12-18(17)21-19/h1-15H
InChI Key:
MZPCVMYCJKVNQG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(n1)cccc2)C=CC=Cc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.346g/mol
Monoisotopic Mass:
285.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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