89270-17-7
Product Name:
1H-Pyrazole-4-carboxylic acid, 3-methyl-5-(phenylmethyl)-, methyl ester
Formula:
C13H14N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 230.26 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 230.105527694 g/mol |
| Monoisotopic Mass | 230.105527694 g/mol |
| Topological Polar Surface Area | 55 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 264 |
| 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 |