76821-79-9 ((2,4-Dihydroxypyrimidine-5-carboxylic acid)

CAS号:
76821-79-9
英文名称:
2,4-Dihydroxypyrimidine-5-carboxylic acid
分子式:
C5H4N2O4
分子量:
156.096261024475

2,4-Dihydroxypyrimidine-5-carboxylic acid(76821-79-9)名称与标识符

名称

英文别名:
5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-2,4-dioxo-, radical ion(1+) (9CI);2,4-Dihydroxypyrimidine-5-carboxylic acid;Uracil 5-carboxylic acid;Uracil-5-carboxylic acid;Isoorotic acid;2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid;5-Carboxyuracil;2,4-Dihydroxy-5-pyrimidinecarboxylic acid;5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-;5-Uracilcarboxylic acid;G7JYK59EBR;5-Pyrimidinecarboxylic acid, 2,4-dihydroxy-;ZXYAAVBXHKCJJB-UHFFFAOYSA-N;Iso-orotic acid;

标识符

InChIKey:
ZXYAAVBXHKCJJB-UHFFFAOYSA-N
Inchi:
1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
SMILES:
O=C1C(C(=O)O)=CNC(N1)=O

2,4-Dihydroxypyrimidine-5-carboxylic acid(76821-79-9)物化性质

计算特性

  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 重原子数量 : 11
  • 复杂度 : 268
  • 拓扑分子极性表面积 : 95.5

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