1,3-二甲基-5-羟基吲哚啉-2-酮 | 1010-68-0
1,3-二甲基-5-羟基吲哚啉-2-酮
5-Hydroxy-1,3-dimethyl-2-indolinone
1010-68-0
C10H11NO2
177.19984
名称和标识符
InChIKey |
YQPARKFXCYFIBD-UHFFFAOYSA-N |
Inchi |
InChI=1S/C10H11NO2/c1-6-8-5-7(12)3-4-9(8)11(2)10(6)13/h3-6,12H,1-2H3 |
SMILES |
OC1=CC=C2C(C(C)C(=O)N2C)=C1 |
别名信息
- 英文别名 -
- 5-Hydroxy-1,3-dimethyl-2-indolinone
- 1,3-Dihydro-5-hydroxy-1,3-dimethyl-2H-indol-2-one
- 4-Hydroxy-3,3-diMethylindolin-2-one
- 5-Hydroxy-1,3-dimethyl-1,3-dihydro-indol-2-one
- 2H-Indol-2-one, 1,3-dihydro-5-hydroxy-1,3-diMethyl-
- AKOS015909551
- AE-848/01470040
- DTXSID60344977
- 1,3-dimethyl-5-hydroxy-oxindole
- 1010-68-0
- 5-HYDROXY-1,3-DIMETHYL-2-INDOLINONE
- 5-Hydroxy-1,3-dimethyl-1,3-dihydro-2H-indol-2-one
- SCHEMBL948429
- 5-hydroxy-1,3-dimethyl-2,3-dihydro-1H-indol-2-one
- Indole-2-one, 2,3-dihydro-5-hydroxy-1,3-dimethyl-
- 5-Hydroxy-1,3-dimethylindolin-2-one
- FOMBLINZ-15
- (+/-) 1,3-Dimethyl-5-hydroxy-oxindole
- 5-Hydroxy-1,3-dimethyl-1,3-dihydro-2H-indol-2-one #
- 5-hydroxy-1,3-dimethyl-3H-indol-2-one
物化性质
实验特性
LogP |
1.53710 |
PSA |
40.54000 |
沸点 |
410.1 °C at 760 mmHg |
熔点 |
195-197 ºC |
闪点 |
410.1 °C at 760 mmHg |
密度 |
1.226 |
计算特性
精确分子量 |
177.078978594g/mol |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
0 |
同位素质量 |
177.078978594g/mol |
重原子数量 |
13 |
复杂度 |
229 |
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) |
1.2 |
拓扑分子极性表面积 |
40.5Ų |