A1AQJ
概要
| 表記: | (3-hydroxyphenyl)(morpholin-4-yl)methanone |
| 組成式: | C11 H13 N O3 |
| 電荷: | 0 |
| 化学式量: | 207.226 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (3-hydroxyphenyl)(morpholin-4-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | (3-hydroxyphenyl)-morpholin-4-yl-methanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1cccc(O)c1)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2 |
| InChIKey | InChI | 1.06 | PELYAGCBLDBUTI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)C(=O)N2CCOCC2 |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)C(=O)N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)C(=O)N2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)C(=O)N2CCOCC2 |
