methyl 3-[4-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 227915
• 分子式: C22H18O8
• 平均质量: 410.37352
• 单一同位素质量: 410.10016754
• SMILES: c12c(OC(C2c2ccc(OCC(=O)OC)cc2)C(=O)OC)c2c(oc1=O)cccc2
• Canonical SMILES: COC(=O)C1Oc2c(C1c1ccc(cc1)OCC(=O)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C22H18O8/c1-26-16(23)11-28-13-9-7-12(8-10-13)17-18-19(30-20(17)22(25)27-2)14-5-3-4-6-15(14)29-21(18)24/h3-10,17,20H,11H2,1-2H3
• InChIKey: WCRYLWTUQGBFTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 3-[4-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: methyl 3-[4-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164283825
• PubChem CID: 71755034

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.8654742
• LogD (pH = 7.4): 1.8654742
• Log P: 1.8654742
• 摩尔折射率: 103.3001 cm^3
• 极化性: 40.42571 Å^3
• 极化表面积: 97.36 Å^2
• 可自由旋转的化学键: 7
• 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