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13262-31-2 | 2-Propen-1-one, 1-(3,4-dihydro-1(2H)-quinolinyl)-3-phenyl-
CAS No: 13262-31-2 Catalog No: AG0010X6 MDL No:
Product Description
Catalog Number:
AG0010X6
Chemical Name:
2-Propen-1-one, 1-(3,4-dihydro-1(2H)-quinolinyl)-3-phenyl-
CAS Number:
13262-31-2
Molecular Formula:
C18H17NO
Molecular Weight:
263.3337
IUPAC Name:
1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C18H17NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11-13H,6,10,14H2
InChI Key:
SFOVHKYYGVAXCU-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cccc2)C=Cc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.34g/mol
Monoisotopic Mass:
263.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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