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Coumalic acid · CAS 500-05-0 · C6H4O4. UNII OB1JPY343G.
| CAS Registry Number | 500-05-0 |
|---|---|
| PubChem CID | 68141 |
| Molecular formula | C6H4O4 |
| IUPAC name | 6-oxopyran-3-carboxylic acid |
| UNII (FDA) | OB1JPY343G |
| Molecular Weight | 140.09 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 140.01095860 |
| Monoisotopic Mass | 140.01095860 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Reported hazard statements | H315 (100%), H319 (100%), H335 (50%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Coumalic acid; 500-05-0; Cumalic acid; 2H-Pyran-5-carboxylic acid, 2-oxo-; 2-Oxopyran-5-carboxylic acid; alpha-Pyrone-5-carboxylic acid; OB1JPY343G; NSC-22978; 2-Oxo-1,2H-pyran-5-carboxylic acid; DTXSID60870569; 2-Pentenedioic acid, 4-(hydroxymethylene)-, delta-lactone; RefChem:579295; DTXCID20818280; 207-899-0; 2-Oxo-2H-pyran-5-carboxylic acid; 6-oxopyran-3-carboxylic acid
CAS 500-05-0; molecular formula C6H4O4; molecular weight — g/mol.
Coumalic acid, 500-05-0, Cumalic acid, 2H-Pyran-5-carboxylic acid, 2-oxo-, 2-Oxopyran-5-carboxylic acid, alpha-Pyrone-5-carboxylic acid.
Hazard statements reported: H315, H319, H335.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.