2H-Pyran-4-carboxylic acid, 2-oxo-, methyl ester

Base Information

• Chemical Name: 2H-Pyran-4-carboxylic acid, 2-oxo-, methyl ester
• CAS No.: 59776-81-7
• Molecular Formula: C7H6O4
• Molecular Weight: 154.122
• DSSTox Substance ID: DTXSID60474480
• Nikkaji Number: J1.388.892B
• Wikidata: Q82304517

Synonyms:59776-81-7;2H-Pyran-4-carboxylic acid, 2-oxo-, methyl ester;DTXSID60474480

Chemical Property of 2H-Pyran-4-carboxylic acid, 2-oxo-, methyl ester

Chemical Property:

• Melting Point: 74-76 °C(Solv: methanol (67-56-1))
• Boiling Point: 265.9±15.0 °C(Predicted)
• PSA: 56.51000
• Density: 1.326±0.06 g/cm3(Predicted)
• LogP: 0.42640
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 154.02660867
• Heavy Atom Count: 11
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=O)OC=C1

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