1212-95-9
中文名称
(1,8,8-TRIMETHYL-2,4-DIOXO-3-AZA-BICYCLO[3.2.1]-OCT-3-YL)-ACETIC ACID
英文名称
(1,8,8-TRIMETHYL-2,4-DIOXO-3-AZA-BICYCLO[3.2.1]-OCT-3-YL)-ACETIC ACID
CAS
1212-95-9
分子式
C12H17NO4
分子量
239.27
MOL 文件
1212-95-9.mol
结构式
基本信息
中文别名
英文别名
AKOS BBS-00007699
TIMTEC-BB SBB011788
3-Azabicyclo[3.2.1]octane-3-acetic acid, 1,8,8-trimethyl-2,4-dioxo-
(1,8,8-TRIMETHYL-2,4-DIOXO-3-AZA-BICYCLO[3.2.1]-OCT-3-YL)-ACETIC ACID
TIMTEC-BB SBB011788
3-Azabicyclo[3.2.1]octane-3-acetic acid, 1,8,8-trimethyl-2,4-dioxo-
(1,8,8-TRIMETHYL-2,4-DIOXO-3-AZA-BICYCLO[3.2.1]-OCT-3-YL)-ACETIC ACID
物理化学性质
| 熔点 | 169 °C |
| 沸点 | 431.2±28.0 °C(Predicted) |
| 密度 | 1.243±0.06 g/cm3(Predicted) |
| 酸度系数(pKa) | 3.74±0.10(Predicted) |
| 形态 | solid |
| InChI | 1S/C12H17NO4/c1-11(2)7-4-5-12(11,3)10(17)13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,14,15)/t7-,12+/m0/s1 |
| InChIKey | LBMVFGRSRGURMJ-JVXZTZIISA-N |
| SMILES | C[C@@]1(CC[C@](C2=O)([H])C(C)1C)C(N2CC(O)=O)=O |