5,6-Dimethoxynicotinic acid - ≥97% , CAS No.76470-34-3

CAS: 76470-34-3 Cat. No.: D186483 Summenformel: C₈H₉NO₄ Molekulargewicht: 183.16 EG-Nummer: 888-138-5

GRADE & PURITY ≥97%

Synonyms

5,6-Dimethoxynicotinic acid, AldrichCPR | BDA47034 | AKOS006345804 | EN300-1719721 | SCHEMBL7652014 | MFCD12401642 | Y13488 | DTXSID50502665 | A865477 | 5,6-Dimethoxynicotinic acid | 5,6-Dimethoxynicotinicacid | PS-13081 | 5,6-dimethoxypyridine-3-carboxyl

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

5,6-Dimethoxynicotinic acid, AldrichCPR | BDA47034 | AKOS006345804 | EN300-1719721 | SCHEMBL7652014 | MFCD12401642 | Y13488 | DTXSID50502665 | A865477 | 5,6-Dimethoxynicotinic acid | 5,6-Dimethoxynicotinicacid | PS-13081 | 5,6-dimethoxypyridine-3-carboxyl

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: COC1=C(N=CC(=C1)C(=O)O)OC
• IUPAC Name: 5,6-dimethoxypyridine-3-carboxylic acid
• InChIKey: DVPUSKADCOGLKP-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO4/c1-12-6-3-5(8(10)11)4-9-7(6)13-2/h3-4H,1-2H3,(H,10,11)
• Isomere SMILES: COC1=C(N=CC(=C1)C(=O)O)OC
• Molekulargewicht: 183.16
• Reaxy-Rn: 397580
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=397580&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 Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 183.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 183.053 Da
• Monoisotopic Mass: 183.053 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 185.000
• 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