85395-95-5 (5-Hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one,5-hydroxy-6-methoxy-2-phenyl-4h-chromen-4-one)

CAS号:
85395-95-5
中文名称:
5-Hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one
英文名称:
5-hydroxy-6-methoxy-2-phenyl-4h-chromen-4-one
分子式:
C16H12O4
分子量:
268.264084815979

5-Hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one(85395-95-5)名称与标识符

名称

中文别名:
5-Hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one;
英文别名:
5-hydroxy-6-methoxy-2-phenyl-4h-chromen-4-one;6-methoxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl dimethyl phosphate;NCIOpen2_007290;AC1L6FUC;CTK4B7588;NSC103756;5-Hydroxy-6-methoxy-2,4-(1,3)-2-pyrimidindion-5-dimethyl-phosphat;AG-K-76077;5-Hydroxy-6-methoxy-2-phenyl-chromen-4-on;AC1Q6G1P;5-hydroxy-6-methoxyflavone;(6-Methoxy-2,4-dioxo-pyrimidin-5-yloxy)-dimethyl-phosphat;5-hydroxy-6-methoxy-2-phenyl-chromen-4-one;AR-1H1997;phosphoric acid 6-methoxy-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl ester dimethyl ester;85395-95-5;LMPK12110101;SCHEMBL21715982;

标识符

InChIKey:
KQFFAKXFTDOCIR-UHFFFAOYSA-N
Inchi:
1S/C16H12O4/c1-19-13-8-7-12-15(16(13)18)11(17)9-14(20-12)10-5-3-2-4-6-10/h2-9,18H,1H3
SMILES:
COC1C(O)=C2C(OC(C3C=CC=CC=3)=CC2=O)=CC=1

5-Hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one(85395-95-5)物化性质

计算特性

  • 精确分子量 : 268.07355886g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 268.07355886g/mol
  • 重原子数量 : 20
  • 复杂度 : 397
  • 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) : 1.905
  • 拓扑分子极性表面积 : 55.8Ų

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