120219-17-2
Product Name:
(2S,3S)-2-ISOCYANATO-3-METHYLVALERIC ACID METHYL ESTER
Formula:
C8H13NO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 171.19 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 171.08954328 g/mol |
| Monoisotopic Mass | 171.08954328 g/mol |
| Topological Polar Surface Area | 55.7 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 197 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |