CAS 50596-36-6 | 4-(pyridin-2-ylmethoxy)benzoic acid | CAS Number 50596-36-6

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50596-36-6 | 4-(pyridin-2-ylmethoxy)benzoic acid

CAS No: 50596-36-6 Catalog No: AG019PX1 MDL No:MFCD08098737

Product Description

Catalog Number:

AG019PX1

Chemical Name:

4-(pyridin-2-ylmethoxy)benzoic acid

CAS Number:

50596-36-6

Molecular Formula:

C13H11NO3

Molecular Weight:

229.2313

MDL Number:

MFCD08098737

IUPAC Name:

4-(pyridin-2-ylmethoxy)benzoic acid

InChI:

InChI=1S/C13H11NO3/c15-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-14-11/h1-8H,9H2,(H,15,16)

InChI Key:

FONKVXGQOAAQSQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)OCc1ccccn1

Properties

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.235g/mol

Monoisotopic Mass:

229.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Hexaaqua-cobalt(II) bis-[4-(pyridin-2-yl-meth-oxy)benzoate] dihydrate.	Acta crystallographica. Section E, Structure reports online 20111101
Hexaaqua-manganese(II) bis-[4-(pyridin-2-ylmeth-oxy)benzoate] dihydrate.	Acta crystallographica. Section E, Structure reports online 20111101