86447-11-2
1-BOC-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID
Name1-BOC-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-BOC-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519232
【English Synonyms】
【Formula】
C11 H17 N O4
【MolWeight】
227.258
【Inchi】
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h5H,4,6-7H2,1-3H3,(H,13,14)
【InChIKey】
InChIKey=KKHQYUPHBPYITH-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC=C(C1)C(=O)O
【MOL File】
1-BOC-1,2,5,6-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-BOC-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID.cml