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730964-74-6

730964-74-6 structural image
Product Name: 2-ISOCYANOADIPIC ACID DIMETHYL ESTER
Formula: C9H13NO4
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COMPUTED DESCRIPTORS

Molecular Weight 199.20 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 199.08445790 g/mol
Monoisotopic Mass 199.08445790 g/mol
Topological Polar Surface Area 57 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 253
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes