alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-
4,5-dimethyl-6-oxopyran-2-carboxylic acid
Also Known As: 4,5-dimethyl-6-oxopyran-2-carboxylic acid|3,4-Dimethyl-2-oxo-2H-pyran-6-carboxylic acid|4,5-dimethyl-6-oxo-6H-pyran-2-carboxylic acid|.alpha.-pyrone-6-carboxylic acid, 3,4-dimethyl-|3,4-Dimethyl-2-oxo-2H-pyran-6-carboxylic acid #
CAS: 2474-49-9
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04225 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Monoisotopic Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 2474-49-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC(=C1)C(=O)O)C |
| InChIKey | XEQZCIANYDGNQE-UHFFFAOYSA-N |
Product Overview
alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- (CAS 2474-49-9), with molecular formula C8H8O4 and molecular weight 168.04225 g/mol. IUPAC: 4,5-dimethyl-6-oxopyran-2-carboxylic 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.
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