878670-01-0
6-HYDROXY-1,4-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
Name6-HYDROXY-1,4-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
6-HYDROXY-1,4-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06447016
【English Synonyms】
【Formula】
C8 H9 N O4
【MolWeight】
183.162
【Inchi】
InChI=1S/C8H9NO4/c1-4-3-5(10)9(2)7(11)6(4)8(12)13/h3,10H,1-2H3,(H,12,13)
【InChIKey】
InChIKey=KHDHZSMTYNPGPP-UHFFFAOYSA-N
【SMILES】
Cc1cc(n(c(=O)c1C(=O)O)C)O
【MOL File】
6-HYDROXY-1,4-DIMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-HYDROXY-1,4-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID.cml