17778-80-2 ((Oxygen, atomic)

快速询单

结构式：

Oxygen, atomicMOL文件

CAS号：

17778-80-2

英文名称：

Oxygen, atomic

分子式：

分子量：

15.999400138855

Oxygen, atomic(17778-80-2)名称与标识符

名称

英文别名：

Oxygen, atomic;oxygen;Singlet Oxygen;Atomic oxygen;Monooxygen;Oxygen atom;Oxygen(sup 3P);Photooxygen;water;Oxygen(atom);Oxygen radical;29407-84-9;monooxygen(2.) (triplet);O(2.);Epon 815;CHEBI:29194;oxidanediyl;17778-80-2;

标识符

InChIKey：

QVGXLLKOCUKJST-UHFFFAOYSA-N

Inchi：

1S/O

SMILES：

[O]

Oxygen, atomic(17778-80-2)物化性质

实验特性

LogP : -0.11880
PSA : 31.5
折射率 : 1.329
沸点 : 100°Cat760mmHg
闪点 : °C
密度 : 0.998

计算特性

精确分子量 : 18.01056
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 15.995
重原子数量 : 1
复杂度 : 0
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） : -0.5
拓扑分子极性表面积 : 1Å²

Oxygen, atomic(17778-80-2)相关文献

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10. Self-oxidation of cytochrome c at methionine80 with molecular oxygen induced by cleavage of the Met–heme iron bond
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