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5-Carboxyphthalide · CAS 4792-29-4 · C9H6O4. UNII 9NF25F2LUE.
| CAS Registry Number | 4792-29-4 |
|---|---|
| PubChem CID | 78517 |
| Molecular formula | C9H6O4 |
| IUPAC name | 1-oxo-3H-2-benzofuran-5-carboxylic acid |
| UNII (FDA) | 9NF25F2LUE |
| Molecular Weight | 178.14 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.02660867 |
| Monoisotopic Mass | 178.02660867 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Reported hazard statements | H302 (100%), H315 (50%), H317 (50%), H319 (50%), H335 (50%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
4792-29-4; 1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid; DTXSID00197348; EINECS 225-343-5; 1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid; RefChem:414435; DTXCID10119839; 225-343-5; 5-Carboxyphthalide; 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid; 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid; 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-; 1-oxo-3H-2-benzofuran-5-carboxylic acid; MFCD04117971; 5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-; Phthalide-5-carboxylic acid
CAS 4792-29-4; molecular formula C9H6O4; molecular weight — g/mol.
4792-29-4, 1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid, DTXSID00197348, EINECS 225-343-5, 1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid, RefChem:414435.
Hazard statements reported: H302, H315, H317, 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.