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58997-11-8

58997-11-8 structural image
Product Name: 3-METHYLISONICOTINIC ACID ETHYL ESTER
Formula: C9H11NO2
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COMPUTED DESCRIPTORS

Molecular Weight 165.19 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 165.078978594 g/mol
Monoisotopic Mass 165.078978594 g/mol
Topological Polar Surface Area 39.2 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 159
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