金精三羧酸(CAS 4431-00-9):分子式 C22H14O9、分子量 422.3。
| CAS号 | 4431-00-9 |
|---|---|
| 分子式 | C22H14O9 |
| 分子量 | 422.3 |
| LogP | 4.3 |
金精三羧酸 是一种化工化合物,登记 CAS 号为 4431-00-9,分子式 C22H14O9(分子量 422.3)。
登记 CAS 号:4431-00-9
其分子式 C22H14O9 由 22 个碳、14 个氢、9 个氧 组成。
别名/同义词:金精三羧酸 · Aurintricarboxylic acid
金精三羧酸 的 CAS 登记号为 4431-00-9。
分子式 C22H14O9,分子量 422.3。
别名/同义词:金精三羧酸、Aurintricarboxylic acid。
金精三羧酸(CAS 4431-00-9)的独立参考数据,整理自公开化学数据库。
| 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 |
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)
| 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 · CAS 4431-00-9 · C22H14O9. UNII NP9O8E29QW.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Aurintricarboxylic acid