| CAS Number | 103626-04-6 |
| Catalog Number | AG007G8X(AGN-PC-00619G) |
| Chemical Name | 1H-Pyrazole-4-carboxylic acid, 3-methoxy-1-methyl-, ethyl ester |
| IUPAC Name | ethyl 3-methoxy-1-methylpyrazole-4-carboxylate |
| InChI | InChI=1S/C8H12N2O3/c1-4-13-8(11)6-5-10(2)9-7(6)12-3/h5H,4H2,1-3H3 |
| InChI Key | LDFXSLIOBXEMAS-UHFFFAOYSA-N |
| MDL Number | MFCD23378469 |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.1925 |
| SMILES | CCOC(=O)c1cn(nc1OC)C |
| Synonyms | 103626-04-6,
3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester,
ethyl 3-methoxy-1-methyl-1H-pyrazole-4-carboxylate,
1H-Pyrazole-4-carboxylic acid, 3-methoxy-1-methyl-, ethyl ester,
ethyl 3-methoxy-1-methyl-1H-pyrazol-4-carboxylate,
ACMC-20m6gz,
SCHEMBL5649913,
CTK0G6892,
KS-00001AFB,
DTXSID40461196,
LDFXSLIOBXEMAS-UHFFFAOYSA-N,
MFCD23378469,
ZINC91305511,
AM806158,
CS-0036363,
1-Methyl-3-methoxy-1H-pyrazole-4-carboxylic acid ethyl ester,
CID11286861,
Ethyl 3-methoxy-1-methyl-pyrazole-4-carboxylate,
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| Complexity | 186 |
| 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 | 4 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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