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- 4027-63-8
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, potassium salt, (2S-cis)- (9CI) | 4027-63-8
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, potassium salt, (2S-cis)- (9CI)
- potassium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- potassium,(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- Potassium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
- DTXSID60193260
- 4027-63-8
- EINECS 223-703-6
- POTASSIUM (2S,5R)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
- NS00083904
- InChIKey：YCVAUSPCVZIJLE-IBTYICNHSA-M
- Inchi：InChI=1S/C8H11NO3S.K/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1
- SMILES：[K+].O=C([C@H]1C(C)(C)S[C@@H]2CC(=O)N12)[O-]
Computed Properties
- 精确分子量: 239.0019
- 氢键供体数量: 0
- 氢键受体数量: 4
- 可旋转化学键数量: 1
- 同位素质量: 239.001846
- 重原子数量: 14
- 复杂度: 294
- 同位素原子数量: 0
- 确定原子立构中心数量: 2
- 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: 2
- 疏水参数计算参考值（XlogP）: none
- 互变异构体数量: 2
- 表面电荷: 0
- 拓扑分子极性表面积: 85.7
Experimental Properties
- PSA: 60.44
- 沸点: 423.8°Cat760mmHg
- 闪点: 210.1°C
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6-Aminopenicillanic acid CAS No.: 551-16-6
