| CAS Number | 1255352-25-0 |
| Catalog Number | AG01A3BS(AGN-PC-0WOCAQ) |
| Chemical Name | 5-Hydroxy-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C5H6N2O3/c1-7-4(8)3(2-6-7)5(9)10/h2,6H,1H3,(H,9,10) |
| InChI Key | HOZYZKCJNAKAIR-UHFFFAOYSA-N |
| MDL Number | MFCD21601625 |
| Molecular Formula | C5H6N2O3 |
| Molecular Weight | 142.1127 |
| SMILES | OC1=C(C=NN1C)C(=O)O |
| Synonyms | 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylic acid,
1255352-25-0,
SCHEMBL7722135,
ZINC71495314,
AKOS019061933,
NE61307,
Z1962222453,
ACN-025066,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.114g/mol |
| Monoisotopic Mass | 142.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number