32046-09-6 (2-Pyrazinecarboxylic acid 1-oxide,2-pyrazinecarboxylic Acid 1-oxide)

CAS号:
32046-09-6
中文名称:
2-Pyrazinecarboxylic acid 1-oxide
英文名称:
2-pyrazinecarboxylic Acid 1-oxide
分子式:
C5H4N2O3
分子量:
140.09686088562

2-Pyrazinecarboxylic acid 1-oxide(32046-09-6)名称与标识符

名称

中文别名:
2-Pyrazinecarboxylic acid 1-oxide;
英文别名:
2-pyrazinecarboxylic Acid 1-oxide;Pyrazine-2-amidoxime;pyrazine-2-aminoxime;pyrazine carboxamidoxime;1-oxy-pyrazine-2-carboxylic acid;PYRAZINE-2-CARBOXAMIDE OXIME;2-pyrazinecarboxamidoxime;N'-hydroxypyrazine-2-carboximidamide;N-hydroxy-pyrazine-2-carboximidic acid amide;Pyrazinecarboximidamide, N-hydroxy- (9CI);2-pyrazineamidoxime;N'-hydroxypyrazine-2-carboxamidine;Pyrazinecarboximidamide,N-hydroxy-;RARECHEM BG FB 0042;pyrazine-2-carboxylic acid-1-oxide;BUTTPARK 32\04-58;2-Carboxy-pyrazin-1-oxid;Pyrazine-2-amidoxime; pyrazine-2-aminoxime; pyrazine carboxamidoxime; 1-oxy-pyrazine-2-carboxylic acid; PYRAZINE-2-CARBOXAMIDE OXIME; 2-pyrazinecarboxamidoxime; N'-hydroxypyrazine-2-carboximidamide; N-hydroxy-pyrazine-2-carboximidic acid amide; Pyrazinecarboximidamide, N-hydroxy- (9CI); 2-pyrazineamidoxime; pyrazine-2-amidoxime; N'-hydroxypyrazine-2-carboxamidine; Pyrazinecarboximidamide,N-hydroxy-; RARECHEM BG FB 0042; pyrazine-2-carbo;32046-09-6;1-oxidopyrazin-1-ium-2-carboxylic acid;AKOS025396861;MFCD19228707;pyrazine-2-carboxylic acid N-oxide;2-Carboxypyrazine 1-oxide;

标识符

MDL:
MFCD19228707
InChIKey:
YJHDMXINXZCJSR-UHFFFAOYSA-N
Inchi:
1S/C5H4N2O3/c8-5(9)4-3-6-1-2-7(4)10/h1-3H,(H,8,9)
SMILES:
[O-][N+]1C=CN=CC=1C(=O)O

2-Pyrazinecarboxylic acid 1-oxide(32046-09-6)物化性质

计算特性

  • 精确分子量 : 140.02219199g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 140.02219199g/mol
  • 重原子数量 : 10
  • 复杂度 : 139
  • 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) : -0.8
  • 拓扑分子极性表面积 : 75.6Ų

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