939986-70-6
3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-CARBOXYLIC ACID
Name3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-CARBOXYLIC ACID
1Identification
【Name】
3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09607811
【English Synonyms】
【Formula】
C12 H13 N3 O2
【MolWeight】
231.254
【Inchi】
InChI=1S/C12H13N3O2/c13-8-10-2-1-5-14-11(10)15-6-3-9(4-7-15)12(16)17/h1-2,5,9H,3-4,6-7H2,(H,16,17)
【InChIKey】
InChIKey=DKBHQJLOWMRHHH-UHFFFAOYSA-N
【SMILES】
c1cc(c(nc1)N2CCC(CC2)C(=O)O)C#N
【MOL File】
3'-CYANO-3,4,5,6-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-CARBOXYLIC ACID.cml