1,2,4,5-tetramethyl benzene-1,2,4,5-tetracarboxylate

• ChemBase编号: 109818
• 分子式: C14H14O8
• 平均质量: 310.25616
• 单一同位素质量: 310.06886741
• SMILES: COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC
• InChI: InChI=1S/C14H14O8/c1-19-11(15)7-5-9(13(17)21-3)10(14(18)22-4)6-8(7)12(16)20-2/h5-6H,1-4H3
• InChIKey: QVEIFJBUBJUUMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,4,5-tetramethyl benzene-1,2,4,5-tetracarboxylate
• IUPAC传统名: 1,2,4,5-tetramethyl benzene-1,2,4,5-tetracarboxylate
• 别名: Tetramethyl Pyromellitate; 1,2,4,5-BENZENETETRACARBOXYLIC ACID, TETRAMETHYLESTER

登记号

• CAS号: 635-10-9
• PubChem SID: 162096310
• PubChem CID: 69455

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.9871536
• LogD (pH = 7.4): 1.9871536
• Log P: 1.9871536
• 摩尔折射率: 74.1592 cm^3
• 极化性: 28.233278 Å^3
• 极化表面积: 105.2 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05212705

MP Biomedicals Rare Chemical collection