Benzenetriol | 35296-77-6
英文名称:
Benzenetriol
CAS No.:
35296-77-6
分子式:
C6 H6 O3
分子量:
126.11004
名称和标识符
InChIKey
WQGWDDDVZFFDIG-UHFFFAOYSA-N
Inchi
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
SMILES
C1(O)C=CC=C(O)C=1O
别名信息
- 英文别名 -
Benzenetriol
Trihydroxybenzene
benzene-1,2,3-triol
物化性质
实验特性
计算特性
精确分子量
126.03168
氢键供体数量
5
氢键受体数量
8
可旋转化学键数量
3
同位素质量
286.068867
重原子数量
20
复杂度
340
同位素原子数量
0
确定原子立构中心数量
5
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
拓扑分子极性表面积
137
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