CAS 881-86-7 | Dimethyl pyridine-2,5-dicarboxylate | CAS Number 881-86-7

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881-86-7 | Dimethyl pyridine-2,5-dicarboxylate

CAS No: 881-86-7 Catalog No: AG003PMJ MDL No:MFCD00034767

Product Description

Catalog Number:

AG003PMJ

Chemical Name:

Dimethyl pyridine-2,5-dicarboxylate

CAS Number:

881-86-7

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

MDL Number:

MFCD00034767

IUPAC Name:

dimethyl pyridine-2,5-dicarboxylate

InChI:

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

InChI Key:

TUGSJNQAIMFEDY-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cn1)C(=O)OC

NSC Number:

35758

Properties

Complexity:

229

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:

0.9

Literature

Title	Journal
Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase.	Bioorganic & medicinal chemistry 20120501
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501