2-butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
2-O-butyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: NCGC00020662-01|NCGC00020662-02|2-butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate|2-O-butyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CAS: 34580-52-4
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13141 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.13141 |
| Monoisotopic Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 34580-52-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C(=C(N1)C)C(=O)OC)C |
| InChIKey | OHNHXZXSADNGAV-UHFFFAOYSA-N |
Product Overview
2-butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 34580-52-4), with molecular formula C13H19NO4 and molecular weight 253.13141 g/mol. IUPAC: 2-O-butyl 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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2-butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is a custom synthesis product. We offer services from milligram to kilogram scale.
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