Nicotinic Acid

CAT: 0203-11694-32Size: 25 gDry Ice: NoHazardous: No

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CAT#:0203-11694-32Size:25 g

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CAS Number

59-67-6

Applications

Biotechnology Grade

Purity

≧ 98.0% (T)

Storage Conditions

Room Temperature

Grade

SP (Specially Prepared Reagent)

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 Number	59-67-6
PubChem CID	938
IUPAC Name	pyridine-3-carboxylic acid
Molecular Formula	C6H5NO2
Molecular Weight	123.11
XLogP	0.4
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	114

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

CAS: 59-67-6

CID: 938

Formula: C6H5NO2

MW: 123.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	123.11
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	123.032028402
Monoisotopic Mass	123.032028402
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
41400028-1	Nicotinic Acid

Nicotinic Acid

Chemical Information

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