5-羟基间苯二甲酸二乙酯 | 39630-68-7
5-羟基间苯二甲酸二乙酯
Diethyl 5-hydroxyisophthalate
39630-68-7
C12H14O5
238.23656
名称和标识符
| MDL |
MFCD00183535 |
| InChIKey |
PUZBTHGPBGQFLW-UHFFFAOYSA-N |
| Inchi |
InChI=1S/C12H14O5/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7,13H,3-4H2,1-2H3 |
| SMILES |
CCOC(=O)C1=CC(=CC(=C1)O)C(=O)OCC |
别名信息
- 英文别名 -
- Diethyl 5-hydroxyisophthalate
- 1,3-Benzenedicarboxylicacid, 5-hydroxy-, 1,3-diethyl ester
- 5-Hydroxy-isophthalic acid diethyl ester
- diethyl 5-hydroxybenzene-1,3-dicarboxylate
- 5-hydroxyisophthalic acid diethyl ester
- AC1LCTIR
- AC1Q33WD
- AC1Q33WE
- CTK4I1651
- diethyl 5-hydroxylsophthalate
- diethyl ester of 5-hydroxyisophthalic acid
- ethyl 5-(ethoxycarbonyl)-3-hydroxybenzoate
- methyl,methyl 5-hydroxyisophthalate
- SureCN475700
- 39630-68-7
- DTXSID30345698
- Diethyl 5-hydroxyisophthalate #
- Z56886640
- BS-48976
- 1,3-Benzenedicarboxylic acid, 5-hydroxy-, diethyl ester
- AKOS001073422
- 5-hydroxybenzene-1,3-dicarboxylic acid diethyl ester
- SCHEMBL475700
- D87793
- FT-0747614
- EN300-04973
- 5-HYDROXY-ISOPHTHALICACIDDIETHYLESTER
- CS-0151778
- 5-hydroxy isophthalic acid diethyl ester
- 1,3-diethyl 5-hydroxybenzene-1,3-dicarboxylate
物化性质
实验特性
| PSA |
72.83 |
| 折射率 |
1.532 |
| 沸点 |
382.7°C at 760 mmHg |
| 闪点 |
145.3°C |
| 密度 |
1.211 |
计算特性
| 精确分子量 |
238.08412 |
| 氢键供体数量 |
1 |
| 氢键受体数量 |
5 |
| 可旋转化学键数量 |
6 |
| 同位素质量 |
238.084124 |
| 重原子数量 |
17 |
| 复杂度 |
250 |
| 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 |
| 拓扑分子极性表面积 |
72.8 |
相关文献
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1.
Syntheses, topological structures and properties of six metal–organic frameworks constructed from a flexible tetracarboxylate ligand
Yu Peng,Guanghua Li,Jia Hua,Zhan Shi,Shouhua Feng CrystEngComm 2015 17 3162
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2.
Oxadiazole containing poly(p-phenylenevinylene)s: synthesis and characterization
Pengfei Li,Shanpeng Wen,Weidong Cheng,Jibo Zhang,Shiyu Yao,Bin Xu,Wenjing Tian New J. Chem. 2012 36 1626
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3.
Synthesis and analysis of in vitro anti-arthritic activity of dendrimers with methyl, ethyl and isopropyl salicylates as surface groups
Mani Jayanthi,Perumal Rajakumar RSC Adv. 2014 4 63208
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4.
Organochalcogen ligands and their palladium(ii) complexes: Synthesis to catalytic activity for Heck coupling
Arun Kumar,Gyandshwar Kumar Rao,Ajai K Singh RSC Adv. 2012 2 12552
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