126681-63-8
4,4A,5,6-TETRAHYDRO-4A-(HYDROXYMETHYL)BENZO(H)CINNOLIN-3(2H)-ONE
Name4,4A,5,6-TETRAHYDRO-4A-(HYDROXYMETHYL)BENZO(H)CINNOLIN-3(2H)-ONE
1Identification
【Name】
4,4A,5,6-TETRAHYDRO-4A-(HYDROXYMETHYL)BENZO(H)CINNOLIN-3(2H)-ONE
【CAS】
【MDL】
MFCD01659045
【English Synonyms】
【Formula】
C13 H14 N2 O2
【MolWeight】
230.266
【Inchi】
InChI=1S/C13H14N2O2/c16-8-13-6-5-9-3-1-2-4-10(9)12(13)15-14-11(17)7-13/h1-4,16H,5-8H2,(H,14,17)
【InChIKey】
InChIKey=MRORQEPNAYBACB-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCC3(C2=NNC(=O)C3)CO
【MOL File】
4,4A,5,6-TETRAHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4A,5,6-TETRAHYDRO-4A-(HYDROXYMETHYL)BENZO(H)CINNOLIN-3(2H)-ONE.cml