898763-98-9
ETHYL 5-OXO-5-[2-(3-PYRROLINOMETHYL)PHENYL]VALERATE
NameETHYL 5-OXO-5-[2-(3-PYRROLINOMETHYL)PHENYL]VALERATE
1Identification
【Name】
ETHYL 5-OXO-5-[2-(3-PYRROLINOMETHYL)PHENYL]VALERATE
【CAS】
【MDL】
MFCD03842910
【English Synonyms】
【Formula】
C18 H23 N O3
【MolWeight】
301.384
【Inchi】
InChI=1S/C18H23NO3/c1-2-22-18(21)11-7-10-17(20)16-9-4-3-8-15(16)14-19-12-5-6-13-19/h3-6,8-9H,2,7,10-14H2,1H3
【InChIKey】
InChIKey=HBGOYNBBWBSEIY-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCC(=O)c1ccccc1CN2CC=CC2
【MOL File】
ETHYL 5-OXO-5-[2-(3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-OXO-5-[2-(3-PYRROLINOMETHYL)PHENYL]VALERATE.cml