| CAS Number | 113100-54-2 |
| Catalog Number | AG01AUKF(AGN-PC-0012Q7) |
| Chemical Name | 3-(methoxymethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C7H10N2O3/c1-9-3-5(7(10)11)6(8-9)4-12-2/h3H,4H2,1-2H3,(H,10,11) |
| InChI Key | PPJWEVHXEQVWNP-UHFFFAOYSA-N |
| MDL Number | MFCD22398428 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | COCC1C(C(O)=O)=CN(C)N=1 |
| Synonyms | 3-(methoxymethyl)-1-methyl-1H-pyrazole-4-carboxylic acid,
113100-54-2,
SCHEMBL17786799,
ZINC34274868,
AKOS032958602,
Z1504688330,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.168g/mol |
| Monoisotopic Mass | 170.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number