Free Chemical Databases
-
[Synonyms]
NSC80331
[Structure]
[ Properties Computed from Structure]
Molecular Weight 163.21632 [g/mol] Molecular Formula C10H13NO XLogP 1.1 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 3 Tautomer Count 5 Exact Mass 163.099714 MonoIsotopic Mass 163.099714 Topological Polar Surface Area 30 Heavy Atom Count 12 Formal Charge 0 Complexity 156 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(6-methylpyridin-2-yl)butan-2-one
Canonical SMILES: CCC(=O)CC1=CC=CC(=N1)C
InChI: InChI=1/C10H13NO/c1-3-10(12)7-9-6-4-5-8(2)11-9/h4-6H,3,7H2,1-2H3
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