MDL | MFCD00017692 |
InChIKey | JVXZRQGOGOXCEC-UHFFFAOYSA-N |
Inchi | 1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H |
SMILES | O1C(=C([H])C(C2C(=C(C(=C([H])C1=2)O[H])O[H])O[H])=O)C1C([H])=C([H])C(=C([H])C=1[H])O[H] |
LogP | 2.28240 |
PSA | 111.13000 |
Merck | 8412 |
折射率 | 1.767 |
沸点 | 642.9℃ at 760mmHg |
熔点 | 347°C(lit.) |
蒸气压 | 0.0±2.0 mmHg at 25°C |
闪点 | 249.9°C |
溶解度 | DMSO: soluble1mg/mL, clear, greenish-yellow |
颜色与性状 | Brown powder |
最大波长(λmax) | 339(EtOH)(lit.) |
密度 | 1.654 |
精确分子量 | 286.04800 |
氢键供体数量 | 4 |
氢键受体数量 | 6 |
可旋转化学键数量 | 1 |
同位素质量 | 286.048 |
重原子数量 | 21 |
复杂度 | 439 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 0 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 1.4 |
拓扑分子极性表面积 | 107 |
分子量 | 286.24 |
EINECS | No data available |
海关编码 | 2914501900 |
海关数据 |
中国海关编码:2914501900概述:2914501900 其他酮酚。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0% 申报要素:品名, 成分含量, 用途, 丙酮报明包装 Summary:2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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PubChemId | 329824421 |
Reaxys RN | 289959 |