4-hydrazinyl-3-hydroxynaphthalene-2-carboxylic acid

• ChemBase编号: 311716
• 分子式: C11H10N2O3
• 平均质量: 218.2087
• 单一同位素质量: 218.06914219
• SMILES: c1(c(c(c2c(c1)cccc2)NN)O)C(=O)O
• Canonical SMILES: NNc1c(O)c(cc2c1cccc2)C(=O)O
• InChI: InChI=1S/C11H10N2O3/c12-13-9-7-4-2-1-3-6(7)5-8(10(9)14)11(15)16/h1-5,13-14H,12H2,(H,15,16)
• InChIKey: JWZBLYCUKDQOJD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-3-hydroxynaphthalene-2-carboxylic acid
• IUPAC传统名: 4-hydrazinyl-3-hydroxynaphthalene-2-carboxylic acid
• 别名: 4-hydrazino-3-hydroxy-2-naphthoic acid

登记号

• CAS号: 333395-43-0
• MDL号: MFCD00994842

理论计算性质

• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): 0.054665573
• LogD (pH = 7.4): -0.91334516
• Log P: 0.12328616
• 摩尔折射率: 61.452 cm^3
• 极化性: 23.321293 Å^3
• 极化表面积: 95.58 Å^2