7-甲基-1,4-二氧杂-螺[4.5]癸烷-8-酮 | 702-69-2
7-甲基-1,4-二氧杂-螺[4.5]癸烷-8-酮
7-Methyl-1,4-dioxaspiro[4.5]decan-8-one
702-69-2
C9H14O3
170.2057
名称和标识符
MDL |
MFCD13189957 |
InChIKey |
AFCOTJOAYFEMMV-UHFFFAOYSA-N |
Inchi |
1S/C9H14O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h7H,2-6H2,1H3 |
SMILES |
O1C([H])([H])C([H])([H])OC21C([H])([H])C([H])([H])C(C([H])(C([H])([H])[H])C2([H])[H])=O |
别名信息
- 中文别名 -
- 7-甲基-1,4-二氧杂螺[4.5]癸烷-8-酮
- 7-甲基-1,4-二氧杂-螺[4.5]癸烷-8-酮
- 英文别名 -
- 7-METHYL-1,4-DIOXA-SPIRO[4.5]DECAN-8-ONE
- 7-Methyl-1,4-dioxaspiro[4.5]decan-8-one
- (±)-4,4-Ethylenedioxy-2-methylcyclohexanone
- 4,4-(Ethylenedioxy)-2-methylcyclohexanone
- 5,5-Ethylenedioxy-1-methylcyclohexan-2-one
- NSC 113128
- 1,4-Dioxaspiro[4.5]decan-8-one, 7-methyl-
- NSC113128
- AFCOTJOAYFEMMV-UHFFFAOYSA-N
- 0888AC
- AB69465
- FCH1153273
- AM806642
- SY033471
- AX8231673
- 4,4-ethylenedioxy-2-methyl-1-cyclohexanone
- ST24024546
- 9-methyl-1,4-dioxaspiro[4.5]decan-8-one
- 7-methyl-1,4-dioxaspiro[4,5
- 7-methyl-1,4-dioxaspiro[4.5]decan-8-one
- 7-Methyl-1 pound not4-dioxaspiro[4.5]decan-8-one
- AKOS015999869
- SCHEMBL1187321
- DS-17949
- 7-methyl-1,4-dioxa-spiro[4.5]-decan-8-one
- A866638
- EN300-1723430
- 7-methyl-1,4-dioxaspiro[4,5]decan-8-one
- MFCD13189957
- 7-methyl-1,4-dioxa-spiro[4.5]decan-8-one
- CS-B1179
- Y10502
- NSC-113128
- 702-69-2
- DTXSID70297021
物化性质
实验特性
LogP |
1.11860 |
PSA |
35.53000 |
沸点 |
98-100 ºC (4 Torr) |
闪点 |
109.4±13.8 ºC, |
溶解度 |
溶解 (60 g/L) (25 ºC), |
密度 |
1.12±0.1 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
170.09400 |
氢键供体数量 |
0 |
氢键受体数量 |
3 |
可旋转化学键数量 |
0 |
同位素质量 |
170.094294304g/mol |
重原子数量 |
12 |
复杂度 |
194 |
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 |
1 |
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) |
0.4 |
拓扑分子极性表面积 |
35.5 |
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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