Phenol,4-(1-phenylethyl)-, dihydrogen phosphate (9CI) | 94200-32-5
Phenol,4-(1-phenylethyl)-, dihydrogen phosphate (9CI)
94200-32-5
C14H15O4P
278.240265130997
名称和标识符
InChIKey |
GOQMSORPLCOQCQ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C14H15O4P/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)18-19(15,16)17/h2-11H,1H3,(H2,15,16,17) |
SMILES |
CC(C1=CC=CC=C1)C2=CC=C(C=C2)OP(=O)(O)O |
别名信息
- 英文别名 -
- Phenol,4-(1-phenylethyl)-, dihydrogen phosphate (9CI)
- [4-(1-phenylethyl)phenyl] dihydrogen phosphate
- p-(1-phenylethyl)phenyl dihydrogen phosphate
- 94200-32-5
- 94200-32-5
- p-(1-Phenylethyl)phenyl dihydrogen phosphate
- p-(1-Phenylethyl)phenyl dihydrogen phosphate
- 4-(1-Phenylethyl)phenyl dihydrogen phosphate
- 4-(1-Phenylethyl)phenyl dihydrogen phosphate
- NS00066429
- NS00066429
- EINECS 303-508-3
- EINECS 303-508-3
- DTXSID80916175
- DTXSID80916175
- SCHEMBL5077454
- SCHEMBL5077454
物化性质
计算特性
精确分子量 |
278.07079595g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
4 |
同位素质量 |
278.07079595g/mol |
重原子数量 |
19 |
复杂度 |
313 |
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) |
2.5 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
66.8Ų |
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