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10579-60-9 | 2-Propen-1-one,1-(3,4-dihydro-1(2H)-quinolinyl)-2-methyl-
CAS No: 10579-60-9 Catalog No: AG007EXF MDL No:
Product Description
Catalog Number:
AG007EXF
Chemical Name:
2-Propen-1-one,1-(3,4-dihydro-1(2H)-quinolinyl)-2-methyl-
CAS Number:
10579-60-9
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylprop-2-en-1-one
InChI:
InChI=1S/C13H15NO/c1-10(2)13(15)14-9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8H,1,5,7,9H2,2H3
InChI Key:
ALVNQTDMQBKHJO-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)N1CCCc2c1cccc2
NSC Number:
91407
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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