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Home > Pyridines > 898779-64-1
898779-64-1 | (4-CYCLOHEXYL)BUTYL 2-PYRIDYL KETONE
CAS No: 898779-64-1 Catalog No: AG00GWOS MDL No:
Product Description
Catalog Number:
AG00GWOS
Chemical Name:
(4-CYCLOHEXYL)BUTYL 2-PYRIDYL KETONE
CAS Number:
898779-64-1
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
IUPAC Name:
5-cyclohexyl-1-pyridin-2-ylpentan-1-one
InChI:
InChI=1S/C16H23NO/c18-16(15-11-6-7-13-17-15)12-5-4-10-14-8-2-1-3-9-14/h6-7,11,13-14H,1-5,8-10,12H2
InChI Key:
ZPPNNIFZKKXNHS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)CCCCC1CCCCC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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