顺-4,7-二氢-1,3-二氧杂环庚 | 5417-32-3
顺-4,7-二氢-1,3-二氧杂环庚
4,7-Dihydro-1,3-dioxepine
5417-32-3
C5H8O2
100.11582
名称和标识符
MDL |
MFCD00003264 |
InChIKey |
BAKUAUDFCNFLBX-UHFFFAOYSA-N |
Inchi |
InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2 |
SMILES |
C1=CCOCOC1 |
别名信息
- 英文别名 -
- 4,7-Dihydro-1,3-dioxepine
- (Z)-4,7-dihydro-1,3-dioxepine
- cis-4,7-Dihydro-1,3-dioxepin
- cis-1,3-Dioxep-5-ene
物化性质
实验特性
LogP |
0.54690 |
PSA |
18.46000 |
折射率 |
n20/D 1.457(lit.) |
沸点 |
125-127 °C(lit.) |
闪点 |
华氏:78.8 °F 摄氏:26 °C
|
颜色与性状 |
未确定 |
溶解性 |
未确定 |
密度 |
1.049 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
100.05200 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
0 |
重原子数量 |
7 |
复杂度 |
60.5 |
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) |
0.3 |
互变异构体数量 |
无 |
表面电荷 |
0 |
海关数据
海关编码 |
2932999099 |
海关数据 |
中国海关编码:
2932999099
概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
|
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