2-[N-(2-hydroxyphenyl)carboximidoyl]phenol

• ChemBase编号: 108684
• 分子式: C13H11NO2
• 平均质量: 213.23194
• 单一同位素质量: 213.0789786
• SMILES: Oc1ccccc1/C=N/c1ccccc1O
• Canonical SMILES: Oc1ccccc1/C=N/c1ccccc1O
• InChI: InChI=1S/C13H11NO2/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H
• InChIKey: CHBGIQHEGBKNGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[N-(2-hydroxyphenyl)carboximidoyl]phenol
• IUPAC传统名: 2-[N-(2-hydroxyphenyl)carboximidoyl]phenol
• 别名: N-(SALICYLIDENE)-2-HYDROXYANILINE; SALICYLIDENE-o-AMINOPHENOL

登记号

• CAS号: 1761-56-4
• PubChem SID: 162096083
• PubChem CID: 5370974

理论计算性质

• Acid pKa: 8.166748
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.239441
• LogD (pH = 7.4): 3.1704748
• Log P: 3.240376
• 摩尔折射率: 65.3494 cm^3
• 极化性: 23.672625 Å^3
• 极化表面积: 52.82 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 183°C

详细说明

MP Biomedicals - 05208309

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05218361

MP Biomedicals Rare Chemical collection