2-Ethoxyisonicotinic acid - ≥98% , CAS No.91940-86-2

CAS: 91940-86-2 Cat. No.: E188277 Summenformel: C₈H₉NO₃ Molekulargewicht: 167.16 EG-Nummer: 801-505-6

QUALITÄT & REINHEIT ≥98%

Synonyms

2-Ethoxy Isonicotinic Acid | 2-ethoxy-4-pyridinecarboxylic acid, AldrichCPR | Z319446996 | E85591 | TS-02251 | 2-ethoxypyridine-4-carboxylic acid | AB20466 | 2-Ethoxyisonicotinicacid | F8880-8196 | SCHEMBL1992514 | AKOS000206182 | DTXSID90343812 | EN300-8

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

2-Ethoxy Isonicotinic Acid | 2-ethoxy-4-pyridinecarboxylic acid, AldrichCPR | Z319446996 | E85591 | TS-02251 | 2-ethoxypyridine-4-carboxylic acid | AB20466 | 2-Ethoxyisonicotinicacid | F8880-8196 | SCHEMBL1992514 | AKOS000206182 | DTXSID90343812 | EN300-8

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CCOC1=NC=CC(=C1)C(=O)O

IUPAC Name

2-ethoxypyridine-4-carboxylic acid

InChIKey

ZGGJYLYCHXPTRY-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CCOC1=NC=CC(=C1)C(=O)O

Molekulargewicht

167.16

Reaxy-Rn

123918

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123918&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 167.160 g/mol
• XLogP3: 1.500
• 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