| CAS Number | 1955560-60-7 |
| Catalog Number | AG01C1Y9 |
| Chemical Name | 1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H12N2O2.ClH/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13;/h2-5H2,1H3,(H,12,13);1H |
| InChI Key | XGYFJVZJUHILPI-UHFFFAOYSA-N |
| MDL Number | MFCD29054901 |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.6647 |
| SMILES | Cl.CN1C2=C(CCCC2)C(C(O)=O)=N1 |
| Synonyms | 1955560-60-7,
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride,
Z2240999756,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.665g/mol |
| Monoisotopic Mass | 216.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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