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90137-55-6 | 2,4,6-Heptatrien-1-one, 7-phenyl-1-(2-quinolinyl)-
CAS No: 90137-55-6 Catalog No: AG00H71W MDL No:
Product Description
Catalog Number:
AG00H71W
Chemical Name:
2,4,6-Heptatrien-1-one, 7-phenyl-1-(2-quinolinyl)-
CAS Number:
90137-55-6
Molecular Formula:
C22H17NO
Molecular Weight:
311.3765
IUPAC Name:
7-phenyl-1-quinolin-2-ylhepta-2,4,6-trien-1-one
InChI:
InChI=1S/C22H17NO/c24-22(21-17-16-19-13-8-9-14-20(19)23-21)15-7-2-1-4-10-18-11-5-3-6-12-18/h1-17H
InChI Key:
ACDVGWUDUDQPAY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(n1)cccc2)C=CC=CC=Cc1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.384g/mol
Monoisotopic Mass:
311.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.6
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