51992-11-1
Product Name:
4-OXO-4-[(3,3,5-TRIMETHYLCYCLOHEXYL)AMINO]BUT-2-ENOIC ACID
Formula:
C13H21NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >35.9 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 239.31 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 239.15214353 g/mol |
| Monoisotopic Mass | 239.15214353 g/mol |
| Topological Polar Surface Area | 66.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 334 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |