| 英文别名 | 1246816-93-2;Tolcapone-d4 |
| CAS号 | 1246816-93-2 |
| SMILES | [2H]c1c(c(c(c(c1C)[2H])[2H])C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])[2H] |
| Inchi | InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3/i2D,3D,4D,5D |
| InchiKey | MIQPIUSUKVNLNT-QFFDRWTDSA-N |
| 分子式 Formula | C14H7D4NO5 |
| 分子量 Molecular Weight | 277.266 |
| 闪点 FP | 205.7±17.2 ℃ |
| 熔点 Melting point | 142-144℃ |
| 沸点 Boiling point | 485.6±45.0 ℃ at 760 mmHg |
| Polarizability极化度 | 28.2±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.3 mmHg at 25℃ |
| 溶解度Solubility | DMSO (Slightly), Methanol (Slightly) |
| 储藏条件 Storage conditions | -20?C Freezer |
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