52600-53-0
Product Name:
5-ACETYL-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
Formula:
C9H8N2O2
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COMPUTED DESCRIPTORS
Molecular Weight | 176.17 g/mol |
---|---|
XLogP3 | -0.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 1 |
Exact Mass | 176.058577502 g/mol |
Monoisotopic Mass | 176.058577502 g/mol |
Topological Polar Surface Area | 70 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 393 |
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 |
Compound Is Canonicalized | Yes |