a-羟基-[1,1-联苯]-4-乙酸 | 450-52-2
a-羟基-[1,1-联苯]-4-乙酸
2-hydroxy-2-(4-phenylphenyl)acetic acid
450-52-2
C14H12O3
228.24328
名称和标识符
MDL |
MFCD11933418 |
InChIKey |
JLZDBGVLWCMKMH-UHFFFAOYSA-N |
Inchi |
InChI=1S/C14H12O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13,15H,(H,16,17) |
SMILES |
OC(C(C1C=CC(C2C=CC=CC=2)=CC=1)O)=O |
别名信息
- 英文别名 -
- [1,1'-Biphenyl]-4-aceticacid, a-hydroxy-
- 2-hydroxy-2-(4-phenylphenyl)acetic acid
- phenylmandelic acid
- (+-)-Hydroxy-(biphenylyl-(4))-essigsaeure
- 4-phenylmandelic acid
- 4-phenyl-mandelic acid
- 4-Phenyl-mandelsaeure
- AC1L3UKC
- AC1Q5SSH
- biphenyl-4-yl(hydroxy)acetic acid
- NSC18768
- Phenol-mandelic acid
- p-Phenylmandelic acid
- SureCN7564005
- AKOS010488929
- 2-([1,1'-Biphenyl]-4-yl)-2-hydroxyaceticacid
- CHEMBL3247384
- alpha-Hydroxy(1,1'-biphenyl)-4-acetic acid
- MFCD11933418
- EN300-1869249
- NSC 18768
- SCHEMBL7564005
- SY314749
- 2-([1,1'-Biphenyl]-4-yl)-2-hydroxyacetic acid
- Phenylmandelic acid
- (1,1'-Biphenyl)-4-acetic acid, alpha-hydroxy-
- 450-52-2
- 4-Phenylmandelic acid
- NSC-18768
物化性质
实验特性
LogP |
2.47160 |
PSA |
57.53 |
折射率 |
1.621 |
沸点 |
440.5°C at 760 mmHg |
闪点 |
234.3°C |
密度 |
1.265 |
计算特性
精确分子量 |
228.07866 |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
228.079 |
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 |
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) |
2.2 |
拓扑分子极性表面积 |
57.5A^2 |