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Home > Pyridines > 146431-61-0
146431-61-0 | 2-Pentanone, 5-(4-methyl-2-pyridinyl)-
CAS No: 146431-61-0 Catalog No: AG001E12 MDL No:
Product Description
Catalog Number:
AG001E12
Chemical Name:
2-Pentanone, 5-(4-methyl-2-pyridinyl)-
CAS Number:
146431-61-0
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
5-(4-methylpyridin-2-yl)pentan-2-one
InChI:
InChI=1S/C11H15NO/c1-9-6-7-12-11(8-9)5-3-4-10(2)13/h6-8H,3-5H2,1-2H3
InChI Key:
DSPXMTVWMMICFB-UHFFFAOYSA-N
SMILES:
CC(=O)CCCc1nccc(c1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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