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Home > Pyridines > 168073-95-8
168073-95-8 | 2-Hexanone, 6-(4-methyl-2-pyridinyl)-
CAS No: 168073-95-8 Catalog No: AG001XSO MDL No:
Product Description
Catalog Number:
AG001XSO
Chemical Name:
2-Hexanone, 6-(4-methyl-2-pyridinyl)-
CAS Number:
168073-95-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
6-(4-methylpyridin-2-yl)hexan-2-one
InChI:
InChI=1S/C12H17NO/c1-10-7-8-13-12(9-10)6-4-3-5-11(2)14/h7-9H,3-6H2,1-2H3
InChI Key:
BRUMLZULDISZSV-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCc1nccc(c1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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