21055-50-5
Product Name:
2-ISOTHIOCYANATO-PENTANEDIOIC ACID DIMETHYL ESTER
Formula:
C8H11NO4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 217.24 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 217.04087901 g/mol |
| Monoisotopic Mass | 217.04087901 g/mol |
| Topological Polar Surface Area | 97 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 260 |
| 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 |