2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamide

• ChemBase编号: 191184
• 分子式: C17H15NO5
• 平均质量: 313.3047
• 单一同位素质量: 313.09502259
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCC(=O)N)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCC(=O)N
• InChI: InChI=1S/C17H15NO5/c1-9-14(22-8-15(18)19)6-5-12-11-4-3-10(21-2)7-13(11)17(20)23-16(9)12/h3-7H,8H2,1-2H3,(H2,18,19)
• InChIKey: ZOEMLMGAPPRIJS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamide
• IUPAC传统名: 2-({8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl}oxy)acetamide

登记号

• PubChem SID: 164247094
• PubChem CID: 805007

理论计算性质

• Acid pKa: 14.987968
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.794447
• LogD (pH = 7.4): 1.794447
• Log P: 1.794447
• 摩尔折射率: 82.8135 cm^3
• 极化性: 32.958405 Å^3
• 极化表面积: 87.85 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds