HCID14085413

7-Azabicyclo[2.2.1]hepta-2,5-diene-2,3,7-tricarboxylic acid 2,3-dimethyl 7-tert-butyl ester

7-O-tert-butyl 2-O,3-O-dimethyl 7-azabicyclo[2.2.1]hepta-2,5-diene-2,3,7-tricarboxylate

C15H19NO6309.31 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1=C(C(=O)OC)C2C=CC1N2C(=O)OC(C)(C)C
InChIKey: WYECAYYMEVQINU-UHFFFAOYSA-N
分子式: C15H19NO6
平均分子量: 309.31 g/mol
单同位素质量: 309.12123733

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 82.1 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 22
形式电荷: 0
复杂度: 547

ALIASES

名称与别名

共 9 条

7-Azabicyclo[2.2.1]hepta-2,5-diene-2,3,7-tricarboxylic acid 2,3-dimethyl 7-tert-butyl ester7-O-tert-butyl 2-O,3-O-dimethyl 7-azabicyclo[2.2.1]hepta-2,5-diene-2,3,7-tricarboxylateSCHEMBL3173383WYECAYYMEVQINU-UHFFFAOYSA-NAKOS0376552197-tert-butyl 2,3-dimethyl 7-azabicyclo[2.2.1]hepta-2,5-diene-2,3,7-tricarboxylateNS-001277-Azabicyclo[2.2.1]hepta-2,5-diene-2,3,7-tricarboxylic acid 2,3-dimethyl 7-(1,1-dimethylethyl) ester7-Azabicyclo[2.2.1]hepta-2,5-diene-2,3,7-tricarboxylic acid 2,3-dimethyl 7-(1,1-dimethylethyl)ester

REACTIONS