Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester | 16881-60-0
Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
16881-60-0
C19H22O3
298.37618
名称和标识符
InChIKey |
YYEAGXUACASJES-UHFFFAOYSA-N |
Inchi |
InChI=1S/C19H22O3/c1-12(2)14-10-16(13(3)4)18(20)17(11-14)19(21)22-15-8-6-5-7-9-15/h5-13,20H,1-4H3 |
SMILES |
C1=CC=C(OC(C2=CC(C(C)C)=CC(C(C)C)=C2O)=O)C=C1 |
别名信息
- 英文别名 -
- Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
- phenyl 2-hydroxy-3,5-di(propan-2-yl)benzoate
- phenyl 3,5-diisopropylsalicylate
- Einecs 240-913-3
- 3,5-Diisopropylsalicylic acid phenyl ester
- 2-Hydroxy-3,5-bis(1-methylethyl)benzoic acid phenyl ester
- U57DD99W6G
- EINECS 240-913-3
- Phenyl 3,5-diisopropylsalicylate
- Salicylic acid, 3,5-diisopropyl-, phenyl ester
- Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
- DTXSID60168610
- Phenyl 2-hydroxy-3,5-bis(1-methylethyl)benzoate
- NS00025541
- 16881-60-0
物化性质
实验特性
PSA |
46.53 |
折射率 |
1.562 |
沸点 |
395.4°Cat760mmHg |
闪点 |
154.8°C |
密度 |
1.099 |
计算特性
精确分子量 |
298.15696 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
5 |
同位素质量 |
298.157 |
重原子数量 |
22 |
复杂度 |
358 |
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) |
5.8 |
拓扑分子极性表面积 |
46.5A^2 |
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