52632-17-4
Product Name:
(E)-3-[(2-Cyano-3-ethoxy-3-oxo-1-propenyl)aMino]-1H-pyrazole-4-carboxylic Acid Ethyl Ester
Formula:
C12H14N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 278.26 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 278.10150494 g/mol |
| Monoisotopic Mass | 278.10150494 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 440 |
| 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 |