543910-34-5
(3AR,7AR)-TERT-BUTYL 4-OXOOCTAHYDRO-1H-INDOLE-1-CARBOXYLATE
Name(3AR,7AR)-TERT-BUTYL 4-OXOOCTAHYDRO-1H-INDOLE-1-CARBOXYLATE
1Identification
【Name】
(3AR,7AR)-TERT-BUTYL 4-OXOOCTAHYDRO-1H-INDOLE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD19442810
【English Synonyms】
【Formula】
C13 H21 N O3
【MolWeight】
239.313
【Inchi】
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
【InChIKey】
InChIKey=GRNSGJOKGICXGO-NXEZZACHSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCC2=O
【MOL File】
(3AR,7AR)-TERT-BUTYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3AR,7AR)-TERT-BUTYL 4-OXOOCTAHYDRO-1H-INDOLE-1-CARBOXYLATE.cml