| CAS Number | 192661-37-3 |
| Catalog Number | AG019ERU(AGN-PC-0201CQ) |
| Chemical Name | Ethyl 3-(1-methyl-1h-pyrazol-4-yl)propanoate |
| IUPAC Name | ethyl 3-(1-methylpyrazol-4-yl)propanoate |
| InChI | InChI=1S/C9H14N2O2/c1-3-13-9(12)5-4-8-6-10-11(2)7-8/h6-7H,3-5H2,1-2H3 |
| InChI Key | ZOHZTCDQGXUZHR-UHFFFAOYSA-N |
| MDL Number | MFCD21642848 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | CCOC(=O)CCc1cnn(C)c1 |
| Synonyms | ethyl 3-(1-methyl-1h-pyrazol-4-yl)propanoate,
192661-37-3,
SCHEMBL6133131,
ZOHZTCDQGXUZHR-UHFFFAOYSA-N,
MFCD21642848,
ZINC60197251,
AKOS010483843,
DA-43396,
CS-0061623,
FT-0714884,
ethyl 3-(1-methyl-1H-pyrazol-4-yl)propionate,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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