| CAS Number | 478837-32-0 |
| Catalog Number | AG01E8Y4 |
| Chemical Name | 4-Methyl-1H-indazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-1H-indazole-5-carboxylic acid |
| InChI | InChI=1S/C9H8N2O2/c1-5-6(9(12)13)2-3-8-7(5)4-10-11-8/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChI Key | VOXKUCDOHLZQPW-UHFFFAOYSA-N |
| MDL Number | MFCD20657650 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | CC1=C2C=NNC2=CC=C1C(=O)O |
| Synonyms | 4-methyl-1H-indazole-5-carboxylic acid,
478837-32-0,
1H-Indazole-5-carboxylic acid, 4-methyl-,
SCHEMBL1600742,
VOXKUCDOHLZQPW-UHFFFAOYSA-N,
ZINC89196983,
1h-indazole-5-carboxylic acid,4-methyl-,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number