| CAS Number | 1172825-92-1 |
| Catalog Number | AG00HDWP(AGN-PC-0WBBTN) |
| Chemical Name | Methyl 1-(2-methoxyethyl)-1h-pyrazole-3-carboxylate |
| IUPAC Name | methyl 1-(2-methoxyethyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C8H12N2O3/c1-12-6-5-10-4-3-7(9-10)8(11)13-2/h3-4H,5-6H2,1-2H3 |
| InChI Key | TYFZFSNHXXBIIT-UHFFFAOYSA-N |
| MDL Number | MFCD09473392 |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.1925 |
| SMILES | COCCN1N=C(C(OC)=O)C=C1 |
| Synonyms | methyl 1-(2-methoxyethyl)-1H-pyrazole-3-carboxylate,
1172825-92-1,
methyl 1-(2-methoxyethyl)pyrazole-3-carboxylate,
MFCD09473392,
SBB024907,
STK351849,
ZINC12396245,
AKOS005167556,
MCULE-9971752359,
AM806157,
CS-0037301,
ST45127902,
EN300-231437,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.195g/mol |
| Monoisotopic Mass | 184.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number