| CAS Number | 14186-59-5 |
| Catalog Number | AG00HW8T(AGN-PC-0NJBHJ) |
| Chemical Name | Methyl 1,2,4-trimethylpyrrole-3-carboxylate |
| IUPAC Name | methyl 1,2,4-trimethylpyrrole-3-carboxylate |
| InChI | InChI=1S/C9H13NO2/c1-6-5-10(3)7(2)8(6)9(11)12-4/h5H,1-4H3 |
| InChI Key | WKXORKKJCWCLDO-UHFFFAOYSA-N |
| MDL Number | MFCD27981312 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | COC(=O)c1c(C)cn(c1C)C |
| Synonyms | 14186-59-5,
METHYL 1,2,4-TRIMETHYLPYRROLE-3-CARBOXYLATE,
ZINC39243816,
1H-Pyrrole-3-carboxylic acid, 1,2,4-trimethyl-, methyl ester,
1,2,4-trimethyl-pyrrole-3-carboxylic acid methyl ester,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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