3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylic acid (CAS 3468-01-7) — formula C17H12O4, molecular weight 280.27; category organic chemicals.
3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylic acid is a carbon-based organic compound with CAS registry number 3468-01-7 and molecular formula C17H12O4 (molecular weight 280.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3468-01-7
Its molecular formula C17H12O4 comprises 17 C, 12 H, 4 O atoms.
Also known as: 3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylic acid · 3-Methylflavone-8-carboxylic acid
Category: organic chemicals
The CAS registry number of 3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylic acid is 3468-01-7.
Molecular formula C17H12O4, molecular weight 280.27.
It is also registered under: 3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylic acid, 3-Methylflavone-8-carboxylic acid.
Category: Organic Chemicals.
Public-database records for 3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylic acid (CAS 3468-01-7), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (22.2%), H315 (77.8%), H319 (88.9%), H335 (77.8%) |
|---|
H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (77.8%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 3468-01-7 |
|---|---|
| PubChem CID | 77016 |
| 分子式 | C17H12O4 |
| IUPAC 名称 | 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid |
| UNII（FDA） | O8RCM70C48 |
3-Methylflavone-8-carboxylic acid; 3468-01-7; 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid; 8-Carboxy-3-methylflavone; 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid; O8RCM70C48; CHEBI:61237; DTXSID00188231; RefChem:94896; DTXCID30110722; 222-425-2; 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid; Enamine_005545; MFCD00040998; 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-; 3-Methylflavone-8-carboxaldehyde
| 分子量 | 280.27 |
|---|---|
| XLogP3 | 3.4 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 2 |
| 精确质量 | 280.07355886 |
| 单同位素质量 | 280.07355886 |
| 拓扑极性表面积 | 63.6 |
| 重原子数 | 21 |
| 形式电荷 | 0 |
3-methyl-4-oxo-2-phenyl-4H-1-Benzopyran-8-carboxylic acid · CAS 3468-01-7 · C17H12O4. UNII O8RCM70C48.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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