149890-38-0
4-CYANOPHENYL-4'-TRANS-ETHYLCYCLOHEXYLCARBOXYLATE
Name4-CYANOPHENYL-4'-TRANS-ETHYLCYCLOHEXYLCARBOXYLATE
1Identification
【Name】
4-CYANOPHENYL-4'-TRANS-ETHYLCYCLOHEXYLCARBOXYLATE
【CAS】
【MDL】
MFCD09750990
【English Synonyms】
【Formula】
C16 H19 N O2
【MolWeight】
257.331
【Inchi】
InChI=1S/C16H19NO2/c1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3/t12-,14-
【InChIKey】
InChIKey=NTTNYGMLOVNUEY-MQMHXKEQSA-N
【SMILES】
CC[C@H]1CC[C@@H](CC1)C(=O)Oc2ccc(cc2)C#N
【MOL File】
4-CYANOPHENYL-4'-TRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANOPHENYL-4'-TRANS-ETHYLCYCLOHEXYLCARBOXYLATE.cml