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119118-42-2 | 2-Propen-1-one, 1-phenyl-3-(2-quinolinyl)-, (2E)-
CAS No: 119118-42-2 Catalog No: AG000I7Z MDL No:
Product Description
Catalog Number:
AG000I7Z
Chemical Name:
2-Propen-1-one, 1-phenyl-3-(2-quinolinyl)-, (2E)-
CAS Number:
119118-42-2
Molecular Formula:
C18H13NO
Molecular Weight:
259.3019
IUPAC Name:
1-phenyl-3-quinolin-2-ylprop-2-en-1-one
InChI:
InChI=1S/C18H13NO/c20-18(15-7-2-1-3-8-15)13-12-16-11-10-14-6-4-5-9-17(14)19-16/h1-13H
InChI Key:
MISUEOPRLQANBO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/c1ccc2c(n1)cccc2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.308g/mol
Monoisotopic Mass:
259.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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