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

CAS: 59288-38-9 Cat. No.: E346002 Fórmula: C₈H₉NO₃ Peso molecular: 167.16

CALIDAD & PUREZA ≥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

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504760314

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

Peso molecular

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
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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

Preguntas frecuentes

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.