426219-40-1
ETHYL 3-HYDROXY-3-(1-TRITYL-1H-IMIDAZOL-4-YL)PROPANOATE
NameETHYL 3-HYDROXY-3-(1-TRITYL-1H-IMIDAZOL-4-YL)PROPANOATE
1Identification
【Name】
ETHYL 3-HYDROXY-3-(1-TRITYL-1H-IMIDAZOL-4-YL)PROPANOATE
【CAS】
【MDL】
MFCD17013179
【English Synonyms】
【Formula】
C27 H26 N2 O3
【MolWeight】
426.513
【Inchi】
InChI=1S/C27H26N2O3/c1-2-32-26(31)18-25(30)24-19-29(20-28-24)27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,25,30H,2,18H2,1H3
【InChIKey】
InChIKey=XLGTVLIKWZHJHL-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CC(c1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4)O
【MOL File】
ETHYL 3-HYDROXY-3-(1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 3-HYDROXY-3-(1-TRITYL-1H-IMIDAZOL-4-YL)PROPANOATE.cml