898764-00-6
ETHYL 6-OXO-6-[2-(3-PYRROLINOMETHYL)PHENYL]HEXANOATE
NameETHYL 6-OXO-6-[2-(3-PYRROLINOMETHYL)PHENYL]HEXANOATE
1Identification
【Name】
ETHYL 6-OXO-6-[2-(3-PYRROLINOMETHYL)PHENYL]HEXANOATE
【CAS】
【MDL】
MFCD03842911
【English Synonyms】
【Formula】
C19 H25 N O3
【MolWeight】
315.41
【Inchi】
InChI=1S/C19H25NO3/c1-2-23-19(22)12-6-5-11-18(21)17-10-4-3-9-16(17)15-20-13-7-8-14-20/h3-4,7-10H,2,5-6,11-15H2,1H3
【InChIKey】
InChIKey=CAJOLWKDLOQWFX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCC(=O)c1ccccc1CN2CC=CC2
【MOL File】
ETHYL 6-OXO-6-[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 6-OXO-6-[2-(3-PYRROLINOMETHYL)PHENYL]HEXANOATE.cml