| CAS Number | 1007190-44-4 |
| Catalog Number | AG01EMIX |
| Chemical Name | potassium 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | potassium;4-hydroxy-1-phenylpyrazole-3-carboxylate |
| InChI | InChI=1S/C10H8N2O3.K/c13-8-6-12(11-9(8)10(14)15)7-4-2-1-3-5-7;/h1-6,13H,(H,14,15);/q;+1/p-1 |
| InChI Key | MEXCRCXTORQMOQ-UHFFFAOYSA-M |
| MDL Number | MFCD07314093 |
| Molecular Formula | C10H7KN2O3 |
| Molecular Weight | 242.2725 |
| SMILES | [K+].OC1C(C([O-])=O)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | MCULE-5060928803,
potassium 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate,
1007190-44-4,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.275g/mol |
| Monoisotopic Mass | 242.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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