71083-78-8
1,4-DIHYDRO-5,8-DIMETHOXY-4-OXO-3-QUINOLINECARBONITRILE
Name1,4-DIHYDRO-5,8-DIMETHOXY-4-OXO-3-QUINOLINECARBONITRILE
1Identification
【Name】
1,4-DIHYDRO-5,8-DIMETHOXY-4-OXO-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD09935571
【English Synonyms】
【Formula】
C12 H10 N2 O3
【MolWeight】
230.222
【Inchi】
InChI=1S/C12H10N2O3/c1-16-8-3-4-9(17-2)11-10(8)12(15)7(5-13)6-14-11/h3-4,6H,1-2H3,(H,14,15)
【InChIKey】
InChIKey=ORBNORBNTUFCFT-UHFFFAOYSA-N
【SMILES】
COc1ccc(c2c1c(=O)c(c[nH]2)C#N)OC
【MOL File】
1,4-DIHYDRO-5,8-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIHYDRO-5,8-DIMETHOXY-4-OXO-3-QUINOLINECARBONITRILE.cml