| CAS Number | 1055974-00-9 |
| Catalog Number | AG01FQZX(AGN-PC-3H5PBL) |
| Chemical Name | 1H-Indazole-1-carboxylic acid, 6-hydroxy-3-methyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 6-hydroxy-3-methylindazole-1-carboxylate |
| InChI | InChI=1S/C13H16N2O3/c1-8-10-6-5-9(16)7-11(10)15(14-8)12(17)18-13(2,3)4/h5-7,16H,1-4H3 |
| InChI Key | XTNRROZRYDONDL-UHFFFAOYSA-N |
| MDL Number | MFCD24467331 |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.2777 |
| SMILES | |
| Synonyms | tert-Butyl 6-hydroxy-3-methyl-1H-indazole-1-carboxylate,
SCHEMBL176840,
XTNRROZRYDONDL-UHFFFAOYSA-N,
1-Boc-3-Methyl-1H-indazole-6-ol,
ZINC113259147,
DB-130682,
tert-butyl 6-hydroxy-3-methylindazole-1-carboxylate,
1055974-00-9,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.116092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.28g/mol |
| Monoisotopic Mass | 248.116092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number