205652-53-5
Product Name:
(2R,3S)-1-CARBOXY-4-ETHYL-2,3-DIHYDROXY-CYCLOHEXA-4,6-DIENE, SODIUM SALT, 85
Formula:
C9H11NaO4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 183.18 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 183.06573383 g/mol |
| Monoisotopic Mass | 183.06573383 g/mol |
| Topological Polar Surface Area | 80.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | -1 |
| Complexity | 272 |
| 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 |