2060025-62-7
Product Name:
1H-Pyrazole-4-acetic acid, 2,5-dihydro-1-(2-nitrophenyl)-5-oxo-, methyl ester
Formula:
C12H11N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 277.23 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 277.06987046 g/mol |
| Monoisotopic Mass | 277.06987046 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 457 |
| 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 |