(8E)-4-methyl-8-(phenylmethylidene)-2H,8H,9H-furo[2,3-h]chromene-2,9-dione

• ChemBase编号: 192009
• 分子式: C19H12O4
• 平均质量: 304.29618
• 单一同位素质量: 304.07355886
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2O/C(=C/c2ccccc2)/C1=O
• Canonical SMILES: O=c1cc(C)c2c(o1)c1c(cc2)O/C(=C/c2ccccc2)/C1=O
• InChI: InChI=1S/C19H12O4/c1-11-9-16(20)23-19-13(11)7-8-14-17(19)18(21)15(22-14)10-12-5-3-2-4-6-12/h2-10H,1H3/b15-10+
• InChIKey: HDFOXRHKFQVBJG-XNTDXEJSSA-N

名称和登记号

名称

• IUPAC标准名: (8E)-4-methyl-8-(phenylmethylidene)-2H,8H,9H-furo[2,3-h]chromene-2,9-dione
• IUPAC传统名: (8E)-4-methyl-8-(phenylmethylidene)furo[2,3-h]chromene-2,9-dione

登记号

• PubChem SID: 164247919
• PubChem CID: 1769923

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.3117828
• LogD (pH = 7.4): 3.3117828
• Log P: 3.3117828
• 摩尔折射率: 86.8189 cm^3
• 极化性: 32.480724 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 1
• 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