CAS 5453-67-8 | Dimethyl pyridine-2,6-dicarboxylate | CAS Number 5453-67-8

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5453-67-8 | Dimethyl pyridine-2,6-dicarboxylate

CAS No: 5453-67-8 Catalog No: AG0034QX MDL No:MFCD00134493

Product Description

Catalog Number:

AG0034QX

Chemical Name:

Dimethyl pyridine-2,6-dicarboxylate

CAS Number:

5453-67-8

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

MDL Number:

MFCD00134493

IUPAC Name:

dimethyl pyridine-2,6-dicarboxylate

InChI:

InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3

InChI Key:

SNQQJEJPJMXYTR-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(n1)C(=O)OC

EC Number:

226-697-3

NSC Number:

18855

Properties

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.174g/mol

Monoisotopic Mass:

195.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
2,2'-[(2S,6R)-Piperidine-2,6-di-yl]-di-pro-pan-2-ol.	Acta crystallographica. Section E, Structure reports online 20120301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Inhibiting dihydrodipicolinate synthase across species: towards specificity for pathogens?	Bioorganic & medicinal chemistry letters 20080115