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10579-65-4 | 2-Propen-1-one,1-(3,4-dihydro-2(1H)-isoquinolinyl)-3-phenyl-
CAS No: 10579-65-4 Catalog No: AG007EXD MDL No:
Product Description
Catalog Number:
AG007EXD
Chemical Name:
2-Propen-1-one,1-(3,4-dihydro-2(1H)-isoquinolinyl)-3-phenyl-
CAS Number:
10579-65-4
Molecular Formula:
C18H17NO
Molecular Weight:
263.3337
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C18H17NO/c20-18(11-10-15-6-2-1-3-7-15)19-13-12-16-8-4-5-9-17(16)14-19/h1-11H,12-14H2
InChI Key:
LDIIACNKONNAKC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)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:
3.3
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