ethyl 3-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate

• ChemBase编号: 195845
• 分子式: C19H22O7
• 平均质量: 362.37378
• 单一同位素质量: 362.13655304
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OCC(=O)OCC)CCC(=O)OCC
• Canonical SMILES: CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)OCC
• InChI: InChI=1S/C19H22O7/c1-4-23-17(20)9-8-15-12(3)14-7-6-13(10-16(14)26-19(15)22)25-11-18(21)24-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3
• InChIKey: QZIJLEMVJPFMQG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
• IUPAC传统名: ethyl 3-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]propanoate

登记号

• PubChem SID: 164251755
• PubChem CID: 1799511

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.3729162
• LogD (pH = 7.4): 2.3729162
• Log P: 2.3729162
• 摩尔折射率: 92.6383 cm^3
• 极化性: 36.387417 Å^3
• 极化表面积: 88.13 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds