339011-53-9
Product Name:
METHYL 6-[(2-ETHOXY-2-OXOETHYL)SULFANYL]NICOTINATE
Formula:
C11H13NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 255.29 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 255.05652907 g/mol |
| Monoisotopic Mass | 255.05652907 g/mol |
| Topological Polar Surface Area | 90.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 272 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |