5-Methyl-2-oxo-2H-pyran-6-carboxylic acid

Base Information

• Chemical Name: 5-Methyl-2-oxo-2H-pyran-6-carboxylic acid
• CAS No.: 3060-42-2
• Molecular Formula: C7H6O4
• Molecular Weight: 154.122
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID50556365
• Wikidata: Q82437899
• Mol file: 3060-42-2.mol

Synonyms:5-Methyl-2-oxo-2H-pyran-6-carboxylic acid;3060-42-2;3-methyl-6-oxo-6H-pyran-2-carboxylic acid;3-METHYL-6-OXOPYRAN-2-CARBOXYLIC ACID;2H-Pyran-6-carboxylic acid, 5-methyl-2-oxo-;DTXSID50556365;5-Methyl-2-oxo-2H-pyran-6-carboxylicacid;A911634

Chemical Property of 5-Methyl-2-oxo-2H-pyran-6-carboxylic acid

Chemical Property:

• Melting Point: 209-211 °C
• Boiling Point: 339.6±35.0 °C(Predicted)
• PKA: 2.04±0.20(Predicted)
• PSA: 67.51000
• Density: 1.416±0.06 g/cm3(Predicted)
• LogP: 0.64640
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.02660867
• Heavy Atom Count: 11
• Complexity: 272

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methyl-2-oxo-2H-pyran-6-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC(=O)C=C1)C(=O)O