861352-04-7
6-(1,1-DIMETHYETHYL)-2-METHYL-3-PYRIDINECARBOXYLIC ACID
Name6-(1,1-DIMETHYETHYL)-2-METHYL-3-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
6-(1,1-DIMETHYETHYL)-2-METHYL-3-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD17018859
【English Synonyms】
【Formula】
C11 H15 N O2
【MolWeight】
193.245
【Inchi】
InChI=1S/C11H15NO2/c1-7-8(10(13)14)5-6-9(12-7)11(2,3)4/h5-6H,1-4H3,(H,13,14)
【InChIKey】
InChIKey=XSBTUUPJWAHJIF-UHFFFAOYSA-N
【SMILES】
Cc1c(ccc(n1)C(C)(C)C)C(=O)O
【MOL File】
6-(1,1-DIMETHYETHYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(1,1-DIMETHYETHYL)-2-METHYL-3-PYRIDINECARBOXYLIC ACID.cml