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1261913-25-0 | 2-Pyridinecarboxylic acid, 6-amino-3-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 1261913-25-0 Catalog No: AG000S4Z MDL No:MFCD18323587
Product Description
Catalog Number:
AG000S4Z
Chemical Name:
2-Pyridinecarboxylic acid, 6-amino-3-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
1261913-25-0
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
MDL Number:
MFCD18323587
IUPAC Name:
6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C16H18N2O2/c1-16(2,3)11-6-4-10(5-7-11)12-8-9-13(17)18-14(12)15(19)20/h4-9H,1-3H3,(H2,17,18)(H,19,20)
InChI Key:
IZXQXFLABGLKCR-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(n1)C(=O)O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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