Ethyl 5-hydroxynicotinate - ≥98% , CAS No.59288-38-9

CAS: 59288-38-9 Cat. No.: E346002 Formule: C₈H₉NO₃ Poids moléculaire: 167.16

QUALITÉ & PURETÉ ≥98%

Synonyms

ethyl 5-hydroxypyridine-3-carboxylate | HMS2747I03 | MFCD00510027 | 3-Pyridinecarboxylic acid, 5-hydroxy-, ethyl ester | AKOS005458450 | Ethyl 3-hydroxy-5-pyridinecarboxylate | 5-hydroxy-3-pyridinecarboxylic acid ethyl ester | ethyl 5-oxidanylpyridine-3-c

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

ethyl 5-hydroxypyridine-3-carboxylate | HMS2747I03 | MFCD00510027 | 3-Pyridinecarboxylic acid, 5-hydroxy-, ethyl ester | AKOS005458450 | Ethyl 3-hydroxy-5-pyridinecarboxylate | 5-hydroxy-3-pyridinecarboxylic acid ethyl ester | ethyl 5-oxidanylpyridine-3-c

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504760314

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760314

Sourires canoniques

CCOC(=O)C1=CC(=CN=C1)O

IUPAC Name

ethyl 5-hydroxypyridine-3-carboxylate

InChIKey

LFDNUOROKFFJLE-UHFFFAOYSA-N

INCHI

1S/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3

Isomères SMILES

CCOC(=O)C1=CC(=CN=C1)O

Poids moléculaire

167.16

Reaxy-Rn

473369

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Hydroxypyridines Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Hydroxypyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 167.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 59288-38-9, the molecular formula is C8H9NO3, and the molecular weight is 167.16 g/mol. InChIKey LFDNUOROKFFJLE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.