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252989-57-4

252989-57-4 structural image
Product Name: 3-Pyridinecarboxaldehyde, 5-ethynyl- (9CI)
Formula: C8H5NO
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COMPUTED DESCRIPTORS

Molecular Weight 131.13 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 131.037113783 g/mol
Monoisotopic Mass 131.037113783 g/mol
Topological Polar Surface Area 30 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 167
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