3-methyl-1H-pyrrole-2,4-dicarboxylic acid
3-methyl-1H-pyrrole-2,4-dicarboxylic acid
Also Known As: 3-methyl-1H-pyrrole-2,4-dicarboxylic acid|3-Methylpyrrole-2,4-dicarboxylic acid|3-Methyl-pyrrole-2,4-dicarboxylic acid|SureCN6023948|CARBONTETRACHLORIDE(13C)|3-Methylpyrrole-2,4-dicarboxylicacid|1H-Pyrrole-2,4-dicarboxylic acid, 3-methyl-|J2.783.702F|S-5793
CAS: 3780-41-4
| Molecular Formula | C7H7NO4 |
|---|---|
| Molecular Weight | 169.0375 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.0375 |
| Monoisotopic Mass | 169.0375 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 3780-41-4 |
|---|---|
| SMILES | CC1=C(NC=C1C(=O)O)C(=O)O |
| InChIKey | DVIKMLHVAWYDMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Biotechnology (3 patents)
Heterocyclic Building Blocks (8 patents)
Pharmaceutical Intermediates (5 patents)
Product Overview
3-methyl-1H-pyrrole-2,4-dicarboxylic acid (CAS 3780-41-4), with molecular formula C7H7NO4 and molecular weight 169.0375 g/mol. IUPAC: 3-methyl-1H-pyrrole-2,4-dicarboxylic acid.
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.
View MSDS →
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