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730964-76-8

730964-76-8 structural image
Product Name: 2-ISOCYANO-2,4-DIMETHYLPENTANOIC ACID METHYL ESTER
Formula: C9H15NO2
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COMPUTED DESCRIPTORS

Molecular Weight 169.22 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 169.110278721 g/mol
Monoisotopic Mass 169.110278721 g/mol
Topological Polar Surface Area 30.7 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 214
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