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114429-07-1 | 3-Pyridinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester
CAS No: 114429-07-1 Catalog No: AG000BAZ MDL No:
Product Description
Catalog Number:
AG000BAZ
Chemical Name:
3-Pyridinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester
CAS Number:
114429-07-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
tert-butyl 2-cyanopyridine-3-carboxylate
InChI:
InChI=1S/C11H12N2O2/c1-11(2,3)15-10(14)8-5-4-6-13-9(8)7-12/h4-6H,1-3H3
InChI Key:
IEELOAPOCDWITJ-UHFFFAOYSA-N
SMILES:
N#Cc1ncccc1C(=O)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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