4-Isoxazolecarboxylicacid,3-methyl-5-o-tolyl-(7CI) (CAS 91569-56-1) — formula C12H11NO3, molecular weight 217.22; category organic chemicals.
| CAS Number | 91569-56-1 |
|---|---|
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.22 |
| LogP | 2.3 |
| Category | Organic Chemicals |
4-Isoxazolecarboxylicacid,3-methyl-5-o-tolyl-(7CI) is a carbon-based organic compound with CAS registry number 91569-56-1 and molecular formula C12H11NO3 (molecular weight 217.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 91569-56-1
Its molecular formula C12H11NO3 comprises 12 C, 11 H, 1 N, 3 O atoms.
Also known as: 4-Isoxazolecarboxylicacid,3-methyl-5-o-tolyl-(7CI) · 4-异恶唑甲酸,3-甲基-5-邻甲苯基-(7CI)
Category: organic chemicals
The CAS registry number of 4-Isoxazolecarboxylicacid,3-methyl-5-o-tolyl-(7CI) is 91569-56-1.
Molecular formula C12H11NO3, molecular weight 217.22.
It is also registered under: 4-Isoxazolecarboxylicacid,3-methyl-5-o-tolyl-(7CI), 4-异恶唑甲酸,3-甲基-5-邻甲苯基-(7CI).
Category: Organic Chemicals.
Independent reference data for 4-Isoxazolecarboxylicacid,3-methyl-5-o-tolyl-(7CI) (CAS 91569-56-1), compiled from public chemistry databases.
| CAS 号 | 91569-56-1 |
|---|---|
| PubChem CID | 28275769 |
| 分子式 | C12H11NO3 |
| IUPAC 名称 | 3-methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxylic acid |
| Molecular Weight | 217.22 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.07389321 |
| Monoisotopic Mass | 217.07389321 |
| Topological Polar Surface Area | 63.3 |
| Heavy Atom Count | 16 |
91569-56-1; 3-Methyl-5-(o-tolyl)isoxazole-4-carboxylic acid; 4-Isoxazolecarboxylicacid, 3-methyl-5-(2-methylphenyl)-; 3-Methyl-5-(2-methylphenyl)-1,2-oxazole-4-carboxylic acid; SCHEMBL12691873; DTXSID40651196; SBB077034; 3-methyl-5-(2-methylphenyl)isoxazole-4-carboxylic acid
4-异恶唑甲酸,3-甲基-5-邻甲苯基-(7CI) · CAS 91569-56-1 · C12H11NO3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.