| CAS Number | 1394947-77-3 |
| Catalog Number | AG00HVM2(AGN-PC-0WR8M4) |
| Chemical Name | tert-Butyl 4-hydroxy-1H-pyrazole-1-carboxylate |
| IUPAC Name | tert-butyl 4-hydroxypyrazole-1-carboxylate |
| InChI | InChI=1S/C8H12N2O3/c1-8(2,3)13-7(12)10-5-6(11)4-9-10/h4-5,11H,1-3H3 |
| InChI Key | JONQFHXWXAHHHX-UHFFFAOYSA-N |
| MDL Number | MFCD23110529 |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.1925 |
| SMILES | O=C(n1ncc(c1)O)OC(C)(C)C |
| Synonyms | tert-butyl 4-hydroxy-1H-pyrazole-1-carboxylate,
1394947-77-3,
SCHEMBL17648499,
JONQFHXWXAHHHX-UHFFFAOYSA-N,
ZINC238105601,
tert-butyl 4-hydroxypyrazole-1-carboxylate,
A1-10287,
F2147-6851,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.195g/mol |
| Monoisotopic Mass | 184.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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