ethyl 3-(5-methylfuran-2-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 227265
• 分子式: C19H16O6
• 平均质量: 340.32674
• 单一同位素质量: 340.09468823
• SMILES: c12c(OC(C1c1oc(cc1)C)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(o1)C)c(=O)oc1c2cccc1
• InChI: InChI=1S/C19H16O6/c1-3-22-19(21)17-14(13-9-8-10(2)23-13)15-16(25-17)11-6-4-5-7-12(11)24-18(15)20/h4-9,14,17H,3H2,1-2H3
• InChIKey: TXSKKCHUOLKEDH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-(5-methylfuran-2-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: ethyl 3-(5-methylfuran-2-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164283175
• PubChem CID: 71754395

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9015334
• LogD (pH = 7.4): 1.9015334
• Log P: 1.9015334
• 摩尔折射率: 88.3276 cm^3
• 极化性: 33.904724 Å^3
• 极化表面积: 74.97 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: Derivatives & analogs of Natural Compounds