21937-88-2
Product Name:
(2E)-3-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACRYLIC ACID
Formula:
C9H12N2O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >27 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 180.20 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 180.089877630 g/mol |
| Monoisotopic Mass | 180.089877630 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 228 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |