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191478-92-9 | 4-Pyridinecarboxylic acid, 2,6-bis(1,1-dimethylethyl)-
CAS No: 191478-92-9 Catalog No: AG002F9F MDL No:
Product Description
Catalog Number:
AG002F9F
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-bis(1,1-dimethylethyl)-
CAS Number:
191478-92-9
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
2,6-ditert-butylpyridine-4-carboxylic acid
InChI:
InChI=1S/C14H21NO2/c1-13(2,3)10-7-9(12(16)17)8-11(15-10)14(4,5)6/h7-8H,1-6H3,(H,16,17)
InChI Key:
BWHIWEBPMRLTOT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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