87175-23-3
Product Name:
Propanoic acid, 2-chloro-3-cyano-, methyl ester (9CI)
Formula:
C5H6ClNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 147.56 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 147.0087061 g/mol |
| Monoisotopic Mass | 147.0087061 g/mol |
| Topological Polar Surface Area | 50.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 148 |
| 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 |