730964-79-1
Product Name:
2-ISOCYANO-4-BENZYLOXYCARBONYLBUTYRIC ACID METHYL ESTER
Formula:
C14H15NO4
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COMPUTED DESCRIPTORS
Molecular Weight | 261.27 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 8 |
Exact Mass | 261.10010796 g/mol |
Monoisotopic Mass | 261.10010796 g/mol |
Topological Polar Surface Area | 57 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 352 |
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 |