Name: Name:2-Pyridinecarboxylic acid, 5-(1,3-benzodioxol-5-yl)-
Brand: Angene
SKU: AG000LQZ
Rating: 90 (10 reviews)

2-Pyridinecarboxylic acid, 5-(1,3-benzodioxol-5-yl)-

CAS No.:

1242339-65-6

Catalog Number:

AG000LQZ

Molecular Formula:

C13H9NO4

Molecular Weight:

243.2149

Catalog Number:

AG000LQZ

Chemical Name:

2-Pyridinecarboxylic acid, 5-(1,3-benzodioxol-5-yl)-

CAS Number:

1242339-65-6

Molecular Formula:

C13H9NO4

Molecular Weight:

243.2149

MDL Number:

MFCD16817622

IUPAC Name:

5-(1,3-benzodioxol-5-yl)pyridine-2-carboxylic acid

InChI:

InChI=1S/C13H9NO4/c15-13(16)10-3-1-9(6-14-10)8-2-4-11-12(5-8)18-7-17-11/h1-6H,7H2,(H,15,16)

InChI Key:

BXNYEVLXUVJXME-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cn1)c1ccc2c(c1)OCO2

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.218g/mol

Monoisotopic Mass:

243.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2