| CAS Number | 1394947-71-7 |
| Catalog Number | AG00HVM1(AGN-PC-0WR8N1) |
| Chemical Name | tert-Butyl 4-hydroxy-3-methyl-1h-pyrazole-1-carboxylate |
| IUPAC Name | tert-butyl 4-hydroxy-3-methylpyrazole-1-carboxylate |
| InChI | InChI=1S/C9H14N2O3/c1-6-7(12)5-11(10-6)8(13)14-9(2,3)4/h5,12H,1-4H3 |
| InChI Key | YEESJLLYIOGDSB-UHFFFAOYSA-N |
| MDL Number | MFCD23110939 |
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.2191 |
| SMILES | Oc1cn(nc1C)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 4-hydroxy-3-methyl-1h-pyrazole-1-carboxylate,
1394947-71-7,
ZINC238509338,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.222g/mol |
| Monoisotopic Mass | 198.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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