methyl 2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate

• ChemBase编号: 119751
• 分子式: C14H14O5
• 平均质量: 262.25796
• 单一同位素质量: 262.08412355
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)OC
• Canonical SMILES: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC
• InChI: InChI=1S/C14H14O5/c1-8-10-5-4-9(17-2)6-12(10)19-14(16)11(8)7-13(15)18-3/h4-6H,7H2,1-3H3
• InChIKey: ZUUIBZZZBRDMBC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
• IUPAC传统名: methyl 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetate
• 别名: methyl 2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate

登记号

• PubChem SID: 162107893
• PubChem CID: 907379

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5908544
• LogD (pH = 7.4): 1.5908544
• Log P: 1.5908544
• 摩尔折射率: 67.6864 cm^3
• 极化性: 26.384485 Å^3
• 极化表面积: 61.83 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