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68925-88-2 | 1-Pentanone,1-(3,4-dihydro-1(2H)-quinolinyl)-2-methyl-
CAS No: 68925-88-2 Catalog No: AG0060FX MDL No:
Product Description
Catalog Number:
AG0060FX
Chemical Name:
1-Pentanone,1-(3,4-dihydro-1(2H)-quinolinyl)-2-methyl-
CAS Number:
68925-88-2
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
InChI:
InChI=1S/C15H21NO/c1-3-7-12(2)15(17)16-11-6-9-13-8-4-5-10-14(13)16/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3
InChI Key:
XCSNHDQPYFGISL-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)N1CCCc2c1cccc2)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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