| CAS Number | 1172860-88-6 |
| Catalog Number | AG00HDWS(AGN-PC-0WBBTO) |
| Chemical Name | methyl 1-(2-methoxyethyl)-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 2-(2-methoxyethyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C8H12N2O3/c1-12-6-5-10-7(3-4-9-10)8(11)13-2/h3-4H,5-6H2,1-2H3 |
| InChI Key | FKCSNMIYNCLBCG-UHFFFAOYSA-N |
| MDL Number | MFCD09473508 |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.1925 |
| SMILES | COCCN1C(C(OC)=O)=CC=N1 |
| Synonyms | 1172860-88-6,
methyl 1-(2-methoxyethyl)-1H-pyrazole-5-carboxylate,
2-(2-METHOXY-ETHYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER,
methyl 1-(2-methoxyethyl)pyrazole-5-carboxylate,
methyl 2-(2-methoxyethyl)pyrazole-3-carboxylate,
MFCD09473508,
SBB024908,
STK351850,
ZINC12396247,
AKOS005167564,
MCULE-4748254579,
AM806156,
AS-39556,
CS-0038117,
ST45128086,
EN300-231438,
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| 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 |
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Certificate of Analysis
Lot Number