55329-69-6
ETHYL 2-(7-METHYL-3-OXO-2H-ISOQUINOLIN-6-YL)ACETATE
NameETHYL 2-(7-METHYL-3-OXO-2H-ISOQUINOLIN-6-YL)ACETATE
1Identification
【Name】
ETHYL 2-(7-METHYL-3-OXO-2H-ISOQUINOLIN-6-YL)ACETATE
【CAS】
【MDL】
MFCD18972298
【English Synonyms】
【Formula】
C14 H15 N O3
【MolWeight】
245.277
【Inchi】
InChI=1S/C14H15NO3/c1-3-18-14(17)7-10-5-11-6-13(16)15-8-12(11)4-9(10)2/h4-6,8H,3,7H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=XFFJHUZJYOTQQY-UHFFFAOYSA-N
【SMILES】
CCOC(=O)Cc1cc2cc(=O)[nH]cc2cc1C
【MOL File】
ETHYL 2-(7-METHYL-3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-(7-METHYL-3-OXO-2H-ISOQUINOLIN-6-YL)ACETATE.cml