SODIUM NICOTINATE

CAT: 1489-S3950-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-S3950-01Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

54-86-4

Purity

0.98

Chemical Information

Niacin sodium

CAS Number	54-86-4
PubChem CID	23687810
IUPAC Name	sodium pyridine-3-carboxylate
Molecular Formula	C6H4NNaO2
Molecular Weight	145.09
Topological Polar Surface Area	53
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	118

SMILES

C1=CC(=CN=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1

InChIKey

KFLRWGSAMLBHBV-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 54-86-4

CID: 23687810

Formula: C6H4NNaO2

MW: 145.09

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	145.09
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	145.01397265
Monoisotopic Mass	145.01397265
Topological Polar Surface Area	53 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
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	2
Compound Is Canonicalized	Yes

Catalog	Name
M6690-01	Methyl Nicotinate
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S8213-01	Sodium Chloride
S7010	Sodium Erythorbate
S4921	Sodium molybdate
G8391-01	Sodium Metavanadate
H8710-01	Sodium hippurate
S9860-01	Sodium tetraphenylboron
S6000-01	Saccharin sodium
P1180	Pantoprazole Sodium

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