205503-99-7
Product Name:
(2R,3S)-1-CARBOXY-4-PHENYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, POTASSIUM SALT, 95
Formula:
C13H11O4.K
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 231.22 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.06573383 g/mol |
| Monoisotopic Mass | 231.06573383 g/mol |
| Topological Polar Surface Area | 80.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | -1 |
| Complexity | 358 |
| 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 |