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1011263-90-3 | 4-Pyridinecarboxylic acid, 2,6-dimethyl-, 1,1-dimethylethyl ester
CAS No: 1011263-90-3 Catalog No: AG0003SN MDL No:
Product Description
Catalog Number:
AG0003SN
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-dimethyl-, 1,1-dimethylethyl ester
CAS Number:
1011263-90-3
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
tert-butyl 2,6-dimethylpyridine-4-carboxylate
InChI:
InChI=1S/C12H17NO2/c1-8-6-10(7-9(2)13-8)11(14)15-12(3,4)5/h6-7H,1-5H3
InChI Key:
LTNFHIUZJAYQOI-UHFFFAOYSA-N
SMILES:
Cc1nc(C)cc(c1)C(=O)OC(C)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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