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Aurintricarboxylic acid · CAS 4431-00-9 · C22H14O9. UNII NP9O8E29QW.
| CAS Registry Number | 4431-00-9 |
|---|---|
| PubChem CID | 2259 |
| Molecular formula | C22H14O9 |
| IUPAC name | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid |
| UNII (FDA) | NP9O8E29QW |
| Molecular Weight | 422.3 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 422.06378202 |
| Monoisotopic Mass | 422.06378202 |
| Topological Polar Surface Area | 169 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
aurintricarboxylic acid; 4431-00-9; Aluminon free acid; aurin tricarboxylic acid; NP9O8E29QW; Benzoic acid, 5-((3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy-; CHEBI:87397; Benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-; Acid, Aurintricarboxylic; RefChem:560355; Acid, Aurin Tricarboxylic; 5,5'-((3-Carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene)bis(2-hydroxybenzoic acid); MFCD00011663; 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid; MLS002153482; 5,5'-(3-Carboxy-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylic acid)
CAS 4431-00-9; molecular formula C22H14O9; molecular weight — g/mol.
aurintricarboxylic acid, 4431-00-9, Aluminon free acid, aurin tricarboxylic acid, NP9O8E29QW, Benzoic acid, 5-((3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy-.
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.