()-4-hydroxyphenylglycine | 6324-01-2
英文名称:
()-4-hydroxyphenylglycine
CAS No.:
6324-01-2
分子式:
C8 H9 NO3
分子量:
167.16200
名称和标识符
InChIKey
LJCWONGJFPCTTL-UHFFFAOYSA-N
Inchi
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
SMILES
NC(C(O)=O)c1ccc(O)cc1
别名信息
- 英文别名 -
()-4-hydroxyphenylglycine
Einecs 228-682-7
p-hydroxy-2-phenylglycine
物化性质
实验特性
LogP
1.17690
PSA
83.55000
折射率
1.633
沸点
365.8°C at 760 mmHg
闪点
175°C
密度
1.396
计算特性
精确分子量
167.05800
氢键供体数量
3
氢键受体数量
4
可旋转化学键数量
2
同位素质量
167.058
重原子数量
12
复杂度
164
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)
_2.1
拓扑分子极性表面积
83.6A^2
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