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730964-70-2

730964-70-2 structural image
Product Name: 2-ISOCYANOHEXANOIC ACID METHYL ESTER
Formula: C8H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 155.19 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 155.094628657 g/mol
Monoisotopic Mass 155.094628657 g/mol
Topological Polar Surface Area 30.7 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 168
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