| CAS Number | 1360927-57-6 |
| Catalog Number | AG01BTHS |
| Chemical Name | 5-Methyl-1H-indazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1H-indazole-4-carboxylic acid |
| InChI | InChI=1S/C9H8N2O2/c1-5-2-3-7-6(4-10-11-7)8(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChI Key | BSZNJJXTCSVIAT-UHFFFAOYSA-N |
| MDL Number | MFCD22556693 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | O=C(C1=C(C)C=CC2=C1C=NN2)O |
| Synonyms | 5-methyl-1h-indazole-4-carboxylic acid,
1360927-57-6,
1h-indazole-4-carboxylic acid,5-methyl-,
ZINC89196431,
AKOS032960632,
Z2755724095,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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