2'-羟基-5'-甲氧基苯乙酮 | 705-15-7
2'-羟基-5'-甲氧基苯乙酮
2-Hydroxy-5-methoxyacetophenone
705-15-7
C9H10O3
166.1739
名称和标识符
MDL |
MFCD00008731 |
InChIKey |
MLIBGOFSXXWRIY-UHFFFAOYSA-N |
Inchi |
1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3 |
SMILES |
O(C([H])([H])[H])C1C([H])=C([H])C(=C(C(C([H])([H])[H])=O)C=1[H])O[H] |
BRN |
1239364 |
别名信息
- 中文别名 -
- 2'-羟基-5'-甲氧基苯乙酮
- 2-羟基-5-甲氧基苯乙酮
- 2’-羟基-5’-甲氧基苯乙酮
- 2'-Hydroxy-5'-methoxyacetophenone 2'-羟基-5'-甲氧基苯乙酮
- 2鈥?-Hydroxy-5鈥?-methoxyacetophenone
- 英文别名 -
- 1-(2-Hydroxy-5-methoxyphenyl)ethanone
- 2-Hydroxy-5-methoxyacetophenone
- 2'-Hydroxy-5'-methoxyacetophenone
- 1-(2-Hydroxy-5-Methoxyphenyl)ethan-1-one
- [
""
]
- Ethanone, 1-(2-hydroxy-5-methoxyphenyl)-
- 5-Methoxy-2-hydroxyacetophenone
- Acetophenone, 2'-hydroxy-5'-methoxy-
- 2'-Hydroxy-5'-methoxyacetylphenone
- MLIBGOFSXXWRIY-UHFFFAOYSA-N
- 1-(2-hydroxy-5-methoxy-phenyl)-ethanone
- 1-acetyl-2-hydroxy-5-methoxybenzene
- NSC338218
- PubChem13248
- 1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
- NSC-338218
- Maybridge1_004072
- 2-hydroxi-5-methoxyacetophenone
- EINECS 211-882-3
- 2-hydroxy-5-methoxy acetophenone
- SY018474
- NS00037062
- PD065266
- 2 inverted exclamation mark -hydroxy-5 inverted exclamation mark -methoxyacetophenone
- 1-(2-Hydroxy-5-methoxyphenyl)ethanone #
- FT-0612554
- AM1158
- BP-13151
- H0868
- AI3-26008
- MFCD00008731
- W-111707
- 2 inverted exclamation marka-Hydroxy-5 inverted exclamation marka-methoxyacetophenone
- A836910
- HMS553B04
- SCHEMBL312754
- NSC 338218
- DTXSID40220765
- 2-HYDROXY-5-METHOXYACETOPHENONE (5,5,5-D3)
- FS-2111
- 2'-Hydroxy-5'-methoxyacetophenone, 99%
- 5'-methoxy-2'-hydroxyacetophenone
- 705-15-7
- (2'-hydroxy-5'methoxyphenyl)ethanone
- Z104483744
- CS-D1489
- AKOS000120848
- F30218
- EN300-20850
- HY-N1731
- Q63409693
物化性质
实验特性
LogP |
1.60340 |
PSA |
46.53000 |
折射率 |
1.5500 (estimate) |
沸点 |
272℃ at 760 mmHg |
熔点 |
52 °C (lit.) |
闪点 |
华氏:235.4 °F 摄氏:113 °C
|
颜色与性状 |
Powder |
溶解性 |
未确定。 |
密度 |
1.1708 (rough estimate) |
计算特性
精确分子量 |
166.06300 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
166.062994 |
重原子数量 |
12 |
复杂度 |
167 |
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) |
2 |
互变异构体数量 |
7 |
表面电荷 |
0 |
拓扑分子极性表面积 |
46.5 |
海关数据
海关编码 |
2914509090 |
海关数据 |
中国海关编码:
2914509090
概述:
2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 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:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
|
参考资料
Reaxys RN |
1239364 |
Beilstein |
8,271 |
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