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Home > Pyridines > 157592-41-1
157592-41-1 | sec-Butyl 2-pyridyl ketone
CAS No: 157592-41-1 Catalog No: AG01FFGU MDL No:
Product Description
Catalog Number:
AG01FFGU
Chemical Name:
sec-Butyl 2-pyridyl ketone
CAS Number:
157592-41-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
2-methyl-1-pyridin-2-ylbutan-1-one
InChI:
InChI=1S/C10H13NO/c1-3-8(2)10(12)9-6-4-5-7-11-9/h4-8H,3H2,1-2H3
InChI Key:
HTHFCUFCMQPDAC-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccccn1)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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