| CAS Number | 1699300-53-2 |
| Catalog Number | AG00HZCQ(AGN-PC-0WR6ZO) |
| Chemical Name | methyl 1-ethylpyrazole-4-carboxylate |
| IUPAC Name | methyl 1-ethylpyrazole-4-carboxylate |
| InChI | InChI=1S/C7H10N2O2/c1-3-9-5-6(4-8-9)7(10)11-2/h4-5H,3H2,1-2H3 |
| InChI Key | JEKNOODYRIFJDN-UHFFFAOYSA-N |
| MDL Number | MFCD27578371 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | COC(=O)c1cnn(c1)CC |
| Synonyms | METHYL 1-ETHYLPYRAZOLE-4-CARBOXYLATE,
1699300-53-2,
ZINC97756827,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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