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1367828-93-0 | 3-Pyridinecarboxylic acid, 6-(1,1-dimethylethyl)-4-hydroxy-
CAS No: 1367828-93-0 Catalog No: AG0012CJ MDL No:
Product Description
Catalog Number:
AG0012CJ
Chemical Name:
3-Pyridinecarboxylic acid, 6-(1,1-dimethylethyl)-4-hydroxy-
CAS Number:
1367828-93-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
6-tert-butyl-4-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)8-4-7(12)6(5-11-8)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChI Key:
QWXVBXWTSVKMDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(cc1O)C(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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