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1796-83-4

1796-83-4 structural image
Product Name: 3,4-Pyridinedicarboxylic acid dimethyl ester
Formula: C9H9NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1502

COMPUTED DESCRIPTORS

Molecular Weight 195.17 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 195.05315777 g/mol
Monoisotopic Mass 195.05315777 g/mol
Topological Polar Surface Area 65.5 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 229
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