HCID127324

2-Hydroxy-5-((3,5-bis(methoxycarbonyl)phenyl)azo)benzeneacetic acid

2-[5-[[3,5-bis(methoxycarbonyl)phenyl]diazenyl]-2-hydroxyphenyl]acetic acid

C18H16N2O7372.3 g/molCAS 99435-38-8

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(N=Nc2ccc(O)c(CC(=O)O)c2)cc(C(=O)OC)c1
InChIKey: LNEKRQNMORYHDX-UHFFFAOYSA-N
分子式: C18H16N2O7
平均分子量: 372.3 g/mol
单同位素质量: 372.09575085

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 135 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 8
重原子: 27
形式电荷: 0
复杂度: 556

ALIASES

名称与别名

共 16 条

2-Hydroxy-5-((3,5-bis(methoxycarbonyl)phenyl)azo)benzeneacetic acidRefChem:90989499435-38-83,5-Dicarbomethoxy-3'-carboxymethyl-4'-hydroxyazobenzenePh CL28A2-[5-[[3,5-bis(methoxycarbonyl)phenyl]diazenyl]-2-hydroxyphenyl]acetic acidPh CL 28APh-CL-28-Aorb1741301SCHEMBL10382386SCHEMBL10382387LNEKRQNMORYHDX-UHFFFAOYSA-N1,3-Benzenedicarboxylic acid, 5-((3-(carboxymethyl)-4-hydroxyphenyl)azo)-, 1,3-dimethyl esterT681805-(3,5-bis-(methoxycarbonyl)-phenylazo)-2-hydroxy-phenylacetic acid5-(3,5-bis-(methoxycarbonyl)-phenylazo)-2-hydroxyphenylacetic acid

REACTIONS