| CAS Number | 1185293-73-5 |
| Catalog Number | AG01FO57(AGN-PC-0WBTPI) |
| Chemical Name | 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 1,3-dimethylpyrazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-4-5(6(9)10)3-8(2)7-4;/h3H,1-2H3,(H,9,10);1H |
| InChI Key | PCSQHYMWILFNMX-UHFFFAOYSA-N |
| MDL Number | MFCD09064900 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | CC1=NN(C=C1C(=O)O)C.Cl |
| Synonyms | 1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID HYDROCHLORIDE,
1185293-73-5,
1,3-dimethyl-1H-pyrazole-4-carboxylic acidhydrochloride,
SCHEMBL10666393,
CTK6I3503,
AKOS015845876,
TR-041456,
Z-2366,
1,3-dimethylpyrazole-4-carboxylic acid hydrochloride,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035255g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035255g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number