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83319-24-8 | 2-Butanone, 3,3-dimethyl-1-(2-quinolinyl)-
CAS No: 83319-24-8 Catalog No: AG004X9I MDL No:
Product Description
Catalog Number:
AG004X9I
Chemical Name:
2-Butanone, 3,3-dimethyl-1-(2-quinolinyl)-
CAS Number:
83319-24-8
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
3,3-dimethyl-1-quinolin-2-ylbutan-2-one
InChI:
InChI=1S/C15H17NO/c1-15(2,3)14(17)10-12-9-8-11-6-4-5-7-13(11)16-12/h4-9H,10H2,1-3H3
InChI Key:
KRZDCGFXFLDWIP-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Cc1ccc2c(n1)cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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