2-(2,4,6-三甲基苯基)羰基苯甲酸 | 2346-67-0
2-(2,4,6-三甲基苯基)羰基苯甲酸
2-(Mesitylcarbonyl)benzoic acid
2346-67-0
C17H16O3
268.30714
名称和标识符
InChIKey |
CTYJJXJURMYALZ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C17H16O3/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17(19)20/h4-9H,1-3H3,(H,19,20) |
SMILES |
CC1C=C(C)C=C(C)C=1C(C1C=CC=CC=1C(O)=O)=O |
别名信息
- 英文别名 -
- Benzoic acid,2-(2,4,6-trimethylbenzoyl)-
- 2-(2,4,6-trimethylbenzoyl)benzoic acid
- 2-(2,4,6-Trimethyl-benzoyl)-benzoesaeure
- 2-(2,4,6-trimethylbenzoyl)-benzoic acid
- 2-(2,4,6-trimethyl-benzoyl)-benzoic acid
- 2.4.6-Trimethyl-benzophenon-carbonsaeure-(2')
- 2-[(2,4,6-trimethylphenyl)carbonyl]benzoic acid
- AC1L8AFE
- NSC408487
- SBB072311
- ST092964
- SureCN6964513
- MLS003373803
- 2,4,6-trimethylbenzoyl-benzoic acid
- 2-(mesitylcarbonyl)benzoic acid
- Benzoic acid, 2-(2,4,6-trimethylbenzoyl)-
- CHEMBL2134137
- CTYJJXJURMYALZ-UHFFFAOYSA-N
- SMR002048600
- 2-(2,4,6-trimethylbenzoyl)benzoicacid
- DTXSID40325067
- 2,4,6-trimethylbenzoyl_-benzoic acid
- SCHEMBL6964513
- 2346-67-0
- NSC-408487
- 2-(2.4.6-Trimethylbenzoyl)benzoesaure
- 2-(2,4,6-Trimethylbenzoyl)-benzoic acid
- AKOS009236122
物化性质
实验特性
计算特性
精确分子量 |
268.10998 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
268.109944368g/mol |
重原子数量 |
20 |
复杂度 |
364 |
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) |
3.6 |
拓扑分子极性表面积 |
54.4Ų |
相关文献
-
1.
Solvent effects on circular dichroism induced in aroylarenecarboxylic acids by optically active amines
Niichiro Tokura,Toshikazu Nagai,Shunsuke Takenaka,Takumi Oshima J. Chem. Soc. Perkin Trans. 2 1974 337
-
2.
Formation of inclusion complexes of benzophenone derivatives; β-cyclodextrin studied by induced circular dichroism
Norio Matsuura,Shunsuke Takenaka,Niichiro Tokura J. Chem. Soc. Perkin Trans. 2 1977 1419