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Nicotinic Acid EP Impurity E

CAT: 1596-AR-N01480-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAS Number
55-22-1
Synonyms
Isonicotinicacid;4-Pyridinecarboxylic Acid; 4-Carboxypyridine; 4-Picolinic Acid; 4-Pyridylcarboxylic Acid; NSC 1483; p-Pyridinecarboxylic Acid; ?-Picolinic Acid; ?-Pyridinecarboxylic Acid; (Isonicotinic Acid)
Molecular Formula
C6H5NO2
Molecular Weight
123.11
API Name
Nicotinic Acid

Chemical Information

Isonicotinic Acid

Isonicotinic acid is a pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring. It has a role as a human metabolite and an algal metabolite. It is a conjugate acid of an isonicotinate.

CAS Number55-22-1
PubChem CID5922
IUPAC Namepyridine-4-carboxylic acid
Molecular FormulaC6H5NO2
Molecular Weight123.11
XLogP0.4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity108
SMILES
C1=CN=CC=C1C(=O)O
InChI
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChIKey
TWBYWOBDOCUKOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isonicotinic Acid
CAS: 55-22-1
CID: 5922
Formula: C6H5NO2
MW: 123.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight123.11
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.032028402
Monoisotopic Mass123.032028402
Topological Polar Surface Area50.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes