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89860-29-7 | 2-Octanone, 4-(2-pyridinyl)-
CAS No: 89860-29-7 Catalog No: AG003WR9 MDL No:
Product Description
Catalog Number:
AG003WR9
Chemical Name:
2-Octanone, 4-(2-pyridinyl)-
CAS Number:
89860-29-7
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
4-pyridin-2-yloctan-2-one
InChI:
InChI=1S/C13H19NO/c1-3-4-7-12(10-11(2)15)13-8-5-6-9-14-13/h5-6,8-9,12H,3-4,7,10H2,1-2H3
InChI Key:
NNIXVGPAEOAVCY-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccccn1)CC(=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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