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Home > Pyridines > 114578-67-5
114578-67-5 | 1-Propanone, 1-(6-acetyl-4-methyl-2-pyridinyl)-
CAS No: 114578-67-5 Catalog No: AG000EQ6 MDL No:
Product Description
Catalog Number:
AG000EQ6
Chemical Name:
1-Propanone, 1-(6-acetyl-4-methyl-2-pyridinyl)-
CAS Number:
114578-67-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
1-(6-acetyl-4-methylpyridin-2-yl)propan-1-one
InChI:
InChI=1S/C11H13NO2/c1-4-11(14)10-6-7(2)5-9(12-10)8(3)13/h5-6H,4H2,1-3H3
InChI Key:
YCLIUGZJWLMLQE-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C)cc(n1)C(=O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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