5-甲基异恶唑-4-羧酸（CAS 42831-50-5）：分子式 C5H5NO3、分子量 127.10。
| CAS号 | 42831-50-5 |
|---|---|
| 分子式 | C5H5NO3 |
| 分子量 | 127.10 |
| LogP | 0.3 |
5-甲基异恶唑-4-羧酸 是一种化工化合物，登记 CAS 号为 42831-50-5，分子式 C5H5NO3（分子量 127.10）。
登记 CAS 号：42831-50-5
其分子式 C5H5NO3 由 5 个碳、5 个氢、1 个氮、3 个氧 组成。
别名/同义词：5-甲基异恶唑-4-羧酸 · 5-Methyl Isoxazole-4-Carboxylic Acid · 5-Methyl-4-isoxazole carboxylic acid
5-甲基异恶唑-4-羧酸 的 CAS 登记号为 42831-50-5。
分子式 C5H5NO3，分子量 127.10。
别名/同义词：5-甲基异恶唑-4-羧酸、5-Methyl Isoxazole-4-Carboxylic Acid、5-Methyl-4-isoxazole carboxylic acid。
5-甲基异恶唑-4-羧酸（CAS 42831-50-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 42831-50-5 |
|---|---|
| PubChem CID | 1425240 |
| Molecular formula | C5H5NO3 |
| IUPAC name | 5-methyl-1,2-oxazole-4-carboxylic acid |
| UNII (FDA) | BL2Q213Q2M |
| Molecular Weight | 127.10 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 127.026943022 |
| Monoisotopic Mass | 127.026943022 |
| Topological Polar Surface Area | 63.3 |
| Heavy Atom Count | 9 |
5-Methylisoxazole-4-carboxylic acid; 42831-50-5; Leflunomide Impurity D; BL2Q213Q2M; 4-Isoxazolecarboxylic acid, 5-methyl-; Leflunomide impurity D [EP]; DTXSID20195503; EC 700-400-1; LEFLUNOMIDE IMPURITY D [EP IMPURITY]; LEFLUNOMIDE IMPURITY D (EP IMPURITY); Leflunomide impurity, 5-methylisoxazole-carboxylic acid-(USP); Leflunomide impurity, 5-methylisoxazole-carboxylic acid-[USP]; LEFLUNOMIDE IMPURITY, 5-METHYLISOXAZOLE-CARBOXYLIC ACID-(USP IMPURITY); LEFLUNOMIDE IMPURITY, 5-METHYLISOXAZOLE-CARBOXYLIC ACID-[USP IMPURITY]; RefChem:537293; DTXCID90117994
| Reported hazard statements | H302 (15.4%), H315 (53.8%), H318 (30.8%), H319 (53.8%), H335 (46.2%) |
|---|
H302 (15.4%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (53.8%): Causes skin irritation [Warning Skin corrosion/irritation]
5-Methyl-4-isoxazole carboxylic acid · CAS 42831-50-5 · C5H5NO3. UNII BL2Q213Q2M.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 5-Methyl Isoxazole-4-Carboxylic Acid