| CAS Number | 89831-43-6 |
| Catalog Number | AG01E7KU(AGN-PC-0OM7BE) |
| Chemical Name | 5-ethoxy-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 3-ethoxy-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C6H8N2O3/c1-2-11-5-3-4(6(9)10)7-8-5/h3H,2H2,1H3,(H,7,8)(H,9,10) |
| InChI Key | XJEVZVWMLSOJJV-UHFFFAOYSA-N |
| MDL Number | MFCD09835046 |
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.1393 |
| SMILES | CCOC1NN=C(C(O)=O)C=1 |
| Synonyms | 5-ETHOXY-1H-PYRAZOLE-3-CARBOXYLIC ACID,
3-ethoxy-1H-pyrazole-5-carboxylic acid,
89831-43-6,
SCHEMBL15467909,
AKOS006326440,
ZINC104517494,
AB53155,
NS-01208,
J3.496.598F,
Z2218554954,
CID11321080,
5-ethoxy-2H-pyrazole-3-carboxylic Acid,
N/A,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.141g/mol |
| Monoisotopic Mass | 156.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number