6-Oxo-1,6-dihydro-pyridazine-3-carboxylic acid - ≥97% , CAS No.37972-69-3

CAS: 37972-69-3 Cat. No.: O349543 Molecular Weight: 140.1 EC Number: 675-237-1

GRADE & PURITY ≥97%

Synonyms

6-Hydroxy-pyridazine-3-carboxylic acid | DTXSID70308343 | FT-0647091 | 6-Hydroxy-3-pyridazinecarboxylic acid | 6-oxo-1H-pyridazine-3-carboxylic acid | AKOS000261935 | F1967-0968 | 6-carboxy-3(2H)-pyridazone | 3-Hydroxypyridazine-6-carboxylic acid | J-5187

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

6-Hydroxy-pyridazine-3-carboxylic acid | DTXSID70308343 | FT-0647091 | 6-Hydroxy-3-pyridazinecarboxylic acid | 6-oxo-1H-pyridazine-3-carboxylic acid | AKOS000261935 | F1967-0968 | 6-carboxy-3(2H)-pyridazone | 3-Hydroxypyridazine-6-carboxylic acid | J-5187

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504758413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758413
• Canonical Smiles: C1=CC(=O)NN=C1C(=O)O
• IUPAC Name: 6-oxo-1H-pyridazine-3-carboxylic acid
• InChIKey: GIFSROMQVPUQFK-UHFFFAOYSA-N
• INCHI: 1S/C5H4N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H,(H,7,8)(H,9,10)
• Isomeric SMILES: C1=CC(=O)NN=C1C(=O)O
• Molecular Weight: 140.1
• Reaxy-Rn: 125821
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125821&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazinones
• Alternative Parents: Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazinone - Heteroaromatic compound - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 140.100 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 140.022 Da
• Monoisotopic Mass: 140.022 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 241.000
• 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