CAS 145530-89-8 | 3,5-Pyridinedicarboxylic acid, 3,5-bis(1,1-dimethylethyl) ester | CAS Number 145530-89-8

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145530-89-8 | 3,5-Pyridinedicarboxylic acid, 3,5-bis(1,1-dimethylethyl) ester

CAS No: 145530-89-8 Catalog No: AG001D5I MDL No:

Product Description

Catalog Number:

AG001D5I

Chemical Name:

3,5-Pyridinedicarboxylic acid, 3,5-bis(1,1-dimethylethyl) ester

CAS Number:

145530-89-8

Molecular Formula:

C15H21NO4

Molecular Weight:

279.3315

IUPAC Name:

ditert-butyl pyridine-3,5-dicarboxylate

InChI:

InChI=1S/C15H21NO4/c1-14(2,3)19-12(17)10-7-11(9-16-8-10)13(18)20-15(4,5)6/h7-9H,1-6H3

InChI Key:

BJTLSCCBMXZDQG-UHFFFAOYSA-N

SMILES:

O=C(c1cncc(c1)C(=O)OC(C)(C)C)OC(C)(C)C

Properties

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.336g/mol

Monoisotopic Mass:

279.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
[H2O2 oxidation of 1,4-dihydropyridines over Mg2+ ion exchanged clinoptilolite and solventless solid state acid decomposition of ester to 3,5-pyridinedicarboxylic acid].	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20091001