1-Decanesulfonic acid | 20283-21-0
英文名称：
1-Decanesulfonic acid
CAS No.：
20283-21-0
分子式：
C1 0 H2 2 O3 S
分子量：
222.34488
名称和标识符
InChIKey
KVGOXGQSTGQXDD-UHFFFAOYSA-N
Inchi
InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)
SMILES
CCCCCCCCCCS(=O)(=O)O
别名信息
- 英文别名 -
1-Decanesulfonic acid
decane-1-sulfonic acid
1DB
1-DECANE-SULFONIC-ACID
AC1L2MOR
CTK1A7565
DB06893
Decan-1-sulfonsaeure
decane sulfonic acid
decane-1-sulphonic acid
decanesulphonic acid
1-DECANESULFONIC ACID
DECANE-1-SULFONIC ACID
UNII-VUY16B7Z2D
decylsulfonic acid
decanesulfonic acid
Q27095799
DTXSID50174144
CHEMBL1208302
VUY16B7Z2D
20283-21-0
SCHEMBL151760
1-DECYLSULFONIC ACID
AKOS040751509
DTXSID201022475
NS00014049
starbld0040717
物化性质
实验特性
PSA
54.37
沸点
°Cat760mmHg
闪点
°C
密度
1.048
计算特性
精确分子量
222.12906
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
9
同位素质量
222.128965
重原子数量
14
复杂度
204
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
62.8
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