3-Hydroxy-4-methoxypicolinic acid - ≥97% , CAS No.210300-09-7

CAS: 210300-09-7 Cat. No.: H588096 Formule: C₇H₇NO₄ Poids moléculaire: 169.14 Numéro CE: 953-797-0

GRADE & PURITY ≥97%

Synonyms

3-hydroxy-4-methoxy picolinic acid | AKOS022711756 | AMY9135 | F20157 | DTXSID90452938 | 3-hydroxy-4-methoxy-pyridine-2-carboxylic Acid | 3-Hydroxy-4-methoxypyridine-2-carboxylic acid | SCHEMBL753212 | 3-Hydroxy-4-methoxy-2-pyridinecarboxylic acid | MFCD1

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

3-hydroxy-4-methoxy picolinic acid | AKOS022711756 | AMY9135 | F20157 | DTXSID90452938 | 3-hydroxy-4-methoxy-pyridine-2-carboxylic Acid | 3-Hydroxy-4-methoxypyridine-2-carboxylic acid | SCHEMBL753212 | 3-Hydroxy-4-methoxy-2-pyridinecarboxylic acid | MFCD1

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

COC1=C(C(=NC=C1)C(=O)O)O

IUPAC Name

3-hydroxy-4-methoxypyridine-2-carboxylic acid

InChIKey

OBHHCPRYWZKEIM-UHFFFAOYSA-N

INCHI

1S/C7H7NO4/c1-12-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11)

Isomères SMILES

COC1=C(C(=NC=C1)C(=O)O)O

CAS alternatif

210300-09-7

Poids moléculaire

169.14

Reaxy-Rn

8111605

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8111605&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 Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Hydroxypyridine - Vinylogous acid - Heteroaromatic compound - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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

Propriétés chimiques et physiques

• Poids moléculaire: 169.130 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 169.038 Da
• Monoisotopic Mass: 169.038 Da
• Topological Polar Surface Area: 79.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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