Nicotinic acid sodium salt - CAS 54-86-4
Catalog: |
BB028836 |
Product Name: |
Nicotinic acid sodium salt |
CAS: |
54-86-4 |
Synonyms: |
sodium;pyridine-3-carboxylate |
IUPAC Name: | sodium;pyridine-3-carboxylate |
Description: | Nicotinic acid sodium salt (CAS# 54-86-4) is a useful research chemical. |
Molecular Weight: | 145.09 |
Molecular Formula: | C6H4NNaO2 |
Canonical 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 |
InChI Key: | KFLRWGSAMLBHBV-UHFFFAOYSA-M |
Boiling Point: | 292.5 °C at 760 mmHg |
Melting Point: | 236.6 °C |
Purity: | 95 % |
Density: | 1.293 g/cm3 |
Appearance: | Cristalline powder |
MDL: | MFCD00064352 |
LogP: | -0.55490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23003105 | 20121105 | Transporter targeted gatifloxacin prodrugs: synthesis, permeability, and topical ocular delivery | Molecular pharmaceutics |
20637471 | 20100827 | Comparison between heterogeneous multi-Langmuir and homogeneous electrostatically modified Langmuir models in accounting for the adsorption of small organic ions in reversed-phase liquid chromatography | Journal of chromatography. A |
19732902 | 20091009 | Characteristics of the adsorption mechanism of acido-basic compounds with two pKa in reversed-phase liquid chromatography | Journal of chromatography. A |
17413224 | 20070401 | Sodium pyridine-3-carboxylate | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.01397265 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.01397265 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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