885949-88-2
Product Name:
3-[4-(2-HYDROXYETHYL)-3-METHYL-5-OXO-2,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZENECARBOXYLIC ACID
Formula:
C13H14N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 262.26 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 262.09535693 g/mol |
| Monoisotopic Mass | 262.09535693 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 419 |
| 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 |