CAS 4021-11-8 | 2-Methylisonicotinic acid | CAS Number 4021-11-8

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4021-11-8 | 2-Methylisonicotinic acid

CAS No: 4021-11-8 Catalog No: AG0033E9 MDL No:MFCD00513435

Product Description

Catalog Number:

AG0033E9

Chemical Name:

2-Methylisonicotinic acid

CAS Number:

4021-11-8

Molecular Formula:

C7H7NO2

Molecular Weight:

137.1360

MDL Number:

MFCD00513435

IUPAC Name:

2-methylpyridine-4-carboxylic acid

InChI:

InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)

InChI Key:

PMDHIMMPXRSDML-UHFFFAOYSA-N

SMILES:

Cc1nccc(c1)C(=O)O

Properties

Complexity:

136

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

137.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

137.138g/mol

Monoisotopic Mass:

137.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Combining aspects of the platinum anticancer drugs picoplatin and BBR3464 to synthesize a new family of sterically hindered dinuclear complexes; their synthesis, binding kinetics and cytotoxicity.	Dalton transactions (Cambridge, England : 2003) 20121007