(3aR,6aS)-benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
化学名:(3aR,6aS)-benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
CAS番号.1217315-21-3
英語名:(3aR,6aS)-benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
CBNumberCB72665026
MFC15H17NO3
MW259.3
MOL File1217315-21-3.mol
(3aR,6aS)-benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate物理性質
| 沸点 | 415.7±45.0 °C(Predicted) |
| 比重(密度) | 1.241±0.06 g/cm3(Predicted) |
| 酸解離定数(Pka) | -0.87±0.20(Predicted) |
| InChI | InChI=1/C15H17NO3/c17-14-6-12-8-16(9-13(12)7-14)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+ |
| InChIKey | UKDGMCVWUBALEW-BETUJISGNA-N |
| SMILES | N1(C(OCC2=CC=CC=C2)=O)C[C@]2([H])CC(=O)C[C@]2([H])C1 |&1:12,18,r| |