922-50-9
Product Name:
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID CALCIUM SALT
Formula:
C10H18CaO6S2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 129.5 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 338.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 338.0170715 g/mol |
| Monoisotopic Mass | 338.0170715 g/mol |
| Topological Polar Surface Area | 171 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 88.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |