methyl 6-hydroxypyridazine-3-carboxylate - ≥97% , CAS No.63001-30-9

CAS: 63001-30-9 Cat. No.: M176985 Molecular Weight: 154.12 EC Number: 839-733-3

GRADE & PURITY ≥97%

Synonyms

METHYL 3-HYDROXYPYRIDAZINE-6-CARBOXYLATE | MFCD08166726 | SY008390 | AKOS001262667 | Methyl 1,6-dihydro-6-oxopyridazine-3-carboxylate | REYKVZJYIFOXTI-UHFFFAOYSA-N | AM20100554 | methyl 6-oxidanylidene-1H-pyridazine-3-carboxylate | methyl 6-oxo-1,6-dihydr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

METHYL 3-HYDROXYPYRIDAZINE-6-CARBOXYLATE | MFCD08166726 | SY008390 | AKOS001262667 | Methyl 1, 6-dihydro-6-oxopyridazine-3-carboxylate | REYKVZJYIFOXTI-UHFFFAOYSA-N | AM20100554 | methyl 6-oxidanylidene-1H-pyridazine-3-carboxylate | methyl 6-oxo-1, 6-dihydr

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: 488196269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196269
• Canonical Smiles: COC(=O)C1=NNC(=O)C=C1
• IUPAC Name: methyl 6-oxo-1H-pyridazine-3-carboxylate
• InChIKey: REYKVZJYIFOXTI-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O3/c1-11-6(10)4-2-3-5(9)8-7-4/h2-3H,1H3,(H,8,9)
• Isomeric SMILES: COC(=O)C1=NNC(=O)C=C1
• Molecular Weight: 154.12
• Reaxy-Rn: 132121
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132121&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: Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazinone - Heteroaromatic compound - Methyl ester - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen 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

Chemical and Physical Properties

• Molecular Weight: 154.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 154.038 Da
• Monoisotopic Mass: 154.038 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 255.000
• 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