5452-51-7
2,6-DIMETHYL-4-OXO-1-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLIC ACID
Name2,6-DIMETHYL-4-OXO-1-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
2,6-DIMETHYL-4-OXO-1-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD19707464
【English Synonyms】
【Formula】
C14 H13 N O3
【MolWeight】
243.261
【Inchi】
InChI=1S/C14H13NO3/c1-9-8-12(16)13(14(17)18)10(2)15(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)
【InChIKey】
InChIKey=FYKRDUGPOCSBHL-UHFFFAOYSA-N
【SMILES】
Cc1cc(=O)c(c(n1c2ccccc2)C)C(=O)O
【MOL File】
2,6-DIMETHYL-4-OXO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-DIMETHYL-4-OXO-1-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLIC ACID.cml