133414-54-7
4,4A,5,6-TETRAHYDRO-9-METHOXYBENZO(H)CINNOLIN-3(2H)-ONE
Name4,4A,5,6-TETRAHYDRO-9-METHOXYBENZO(H)CINNOLIN-3(2H)-ONE
1Identification
【Name】
4,4A,5,6-TETRAHYDRO-9-METHOXYBENZO(H)CINNOLIN-3(2H)-ONE
【CAS】
【MDL】
MFCD01659048
【English Synonyms】
【Formula】
C13 H14 N2 O2
【MolWeight】
230.266
【Inchi】
InChI=1S/C13H14N2O2/c1-17-10-5-4-8-2-3-9-6-12(16)14-15-13(9)11(8)7-10/h4-5,7,9H,2-3,6H2,1H3,(H,14,16)
【InChIKey】
InChIKey=FWITYCSJTUCFDL-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)C3=NNC(=O)CC3CC2
【MOL File】
4,4A,5,6-TETRAHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4A,5,6-TETRAHYDRO-9-METHOXYBENZO(H)CINNOLIN-3(2H)-ONE.cml