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Nicotinic Acid 99.5% Extrapure

CAT: 1507-01825 00500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1507-01825 00500Size:500 mg
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CAS Number
59-67-6

Chemical Information

Nicotinic Acid

Nicotinic acid is a pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. It has a role as a metabolite, a vasodilator agent, an antilipemic drug, an antidote, a mouse metabolite, a plant metabolite, an Escherichia coli metabolite, a human urinary metabolite and an EC 3.5.1.19 (nicotinamidase) inhibitor. It is a vitamin B3, a pyridine alkaloid and a pyridinemonocarboxylic acid. It is a conjugate acid of a nicotinate.

CAS Number59-67-6
PubChem CID938
IUPAC Namepyridine-3-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
Complexity114
SMILES
C1=CC(=CN=C1)C(=O)O
InChI
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKey
PVNIIMVLHYAWGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicotinic Acid
CAS: 59-67-6
CID: 938
Formula: C6H5NO2
MW: 123.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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
Complexity114
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

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