Name: Name:2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID
Brand: Angene
SKU: AG00BCQ8
Rating: 90 (10 reviews)

2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID

CAS No.:

214758-41-5

Catalog Number:

AG00BCQ8

Molecular Formula:

C13H9NO5

Molecular Weight:

259.2143

Catalog Number:

AG00BCQ8

Chemical Name:

2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID

CAS Number:

214758-41-5

Molecular Formula:

C13H9NO5

Molecular Weight:

259.2143

MDL Number:

MFCD01313711

IUPAC Name:

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

InChI:

InChI=1S/C13H9NO5/c15-13(16)9-2-1-5-14-12(9)19-8-3-4-10-11(6-8)18-7-17-10/h1-6H,7H2,(H,15,16)

InChI Key:

HXXHQOGRXQVZCN-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccnc1Oc1ccc2c(c1)OCO2

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.217g/mol

Monoisotopic Mass:

259.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1