| CAS Number | 1134691-09-0 |
| Catalog Number | AG01A88J(AGN-PC-0WO2V6) |
| Chemical Name | 2-(1-methyl-1H-pyrazol-4-yl)-2-oxoacetic acid |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)-2-oxoacetic acid |
| InChI | InChI=1S/C6H6N2O3/c1-8-3-4(2-7-8)5(9)6(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | AIURWSUYOAFKMN-UHFFFAOYSA-N |
| MDL Number | MFCD09930004 |
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.1234 |
| SMILES | CN1N=CC(=C1)C(C(=O)O)=O |
| Synonyms | 2-(1-methyl-1H-pyrazol-4-yl)-2-oxoacetic acid,
1134691-09-0,
AC1Q3YSB,
SCHEMBL17007892,
CTK6I3802,
ZINC19428660,
AKOS000171226,
MCULE-1630067901,
NE14624,
EN300-61027,
Z993991118,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.125g/mol |
| Monoisotopic Mass | 154.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number