259545-11-4
ETHYL 6-(3-PYRIDYL)CYCLOHEX-3-ENE-1-CARBOXYLATE
NameETHYL 6-(3-PYRIDYL)CYCLOHEX-3-ENE-1-CARBOXYLATE
1Identification
【Name】
ETHYL 6-(3-PYRIDYL)CYCLOHEX-3-ENE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD00817023
【English Synonyms】
【Formula】
C14 H17 N O2
【MolWeight】
231.293
【Inchi】
InChI=1S/C14H17NO2/c1-2-17-14(16)13-8-4-3-7-12(13)11-6-5-9-15-10-11/h3-6,9-10,12-13H,2,7-8H2,1H3
【InChIKey】
InChIKey=ATAHZGDGVWUBCW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1CC=CCC1c2cccnc2
【MOL File】
ETHYL 6-(3-PYRIDYL)C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-(3-PYRIDYL)CYCLOHEX-3-ENE-1-CARBOXYLATE.cml