ethyl 3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 227141
• 分子式: C23H20O8
• 平均质量: 424.4001
• 单一同位素质量: 424.1158176
• SMILES: c12c(OC(C2c2cc3c(c(c2)OC)OCCO3)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc(OC)c3c(c1)OCCO3)c(=O)oc1c2cccc1
• InChI: InChI=1S/C23H20O8/c1-3-27-23(25)21-17(12-10-15(26-2)20-16(11-12)28-8-9-29-20)18-19(31-21)13-6-4-5-7-14(13)30-22(18)24/h4-7,10-11,17,21H,3,8-9H2,1-2H3
• InChIKey: BZOJOKWSOPEFOE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: ethyl 3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164283051
• PubChem CID: 71754277

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.1115375
• LogD (pH = 7.4): 2.1115375
• Log P: 2.1115375
• 摩尔折射率: 108.1524 cm^3
• 极化性: 42.123524 Å^3
• 极化表面积: 89.52 Å^2
• 可自由旋转的化学键: 5
• 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