329044-14-6
Product Name:
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-4-[[4-(1-methylethoxy)phenyl]methyl]-
Formula:
C14H18N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 246.30 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 246.136827821 g/mol |
| Monoisotopic Mass | 246.136827821 g/mol |
| Topological Polar Surface Area | 50.4 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 342 |
| 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 |