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

CAS: 210300-09-7 Cat. No.: H588096 Formula: C₇H₇NO₄ Peso molecolare: 169.14 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: 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)
• Isomeri SMILES: COC1=C(C(=NC=C1)C(=O)O)O
• CAS alternativo: 210300-09-7
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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