| CAS Number | 78201-01-1 |
| Catalog Number | AG018RXS(AGN-PC-0WBPZ2) |
| Chemical Name | 5-methoxy-1,3-dimethyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C7H10N2O3/c1-4-5(7(10)11)6(12-3)9(2)8-4/h1-3H3,(H,10,11) |
| InChI Key | GUZMIQWLRGBSCK-UHFFFAOYSA-N |
| MDL Number | MFCD11191357 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | COC1N(C)N=C(C)C=1C(O)=O |
| Synonyms | 5-methoxy-1,3-dimethyl-1H-pyrazole-4-carboxylic acid,
78201-01-1,
SCHEMBL8308002,
GUZMIQWLRGBSCK-UHFFFAOYSA-N,
ZINC20446180,
AKOS009246832,
MCULE-1380897649,
NE20743,
EN300-75482,
1,3-dimethyl-5-methoxy-4-pyrazole carboxylic acid,
F8881-5331,
Z1259335789,
|
| Complexity | 186 |
| 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 | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number