73427-92-6
METHYL 6-CYANO-1-HYDROXY-7-METHYL-5-OXO-3,5-DIHYDROINDOLIZINE-2-CARBOXYLATE
NameMETHYL 6-CYANO-1-HYDROXY-7-METHYL-5-OXO-3,5-DIHYDROINDOLIZINE-2-CARBOXYLATE
1Identification
【Name】
METHYL 6-CYANO-1-HYDROXY-7-METHYL-5-OXO-3,5-DIHYDROINDOLIZINE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD00192283
【English Synonyms】
【Formula】
C12 H10 N2 O4
【MolWeight】
246.221
【Inchi】
InChI=1S/C12H10N2O4/c1-6-3-9-10(15)8(12(17)18-2)5-14(9)11(16)7(6)4-13/h3,15H,5H2,1-2H3
【InChIKey】
InChIKey=SMZUVBTVMMVLDU-UHFFFAOYSA-N
【SMILES】
Cc1cc2n(c(=O)c1C#N)CC(=C2O)C(=O)OC
【MOL File】
METHYL 6-CYANO-1-HYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 6-CYANO-1-HYDROXY-7-METHYL-5-OXO-3,5-DIHYDROINDOLIZINE-2-CARBOXYLATE.cml