methyl 4-oxo-4H-1-benzopyran-3-carboxylate

Base Information

• Chemical Name: methyl 4-oxo-4H-1-benzopyran-3-carboxylate
• CAS No.: 93562-17-5
• Molecular Formula: C11H8O4
• Molecular Weight: 204.182
• DSSTox Substance ID: DTXSID80536953
• Nikkaji Number: J376.943G
• Wikidata: Q82411779

Synonyms:93562-17-5;methyl 4-oxo-4H-chromene-3-carboxylate;methyl 4-oxo-4H-1-benzopyran-3-carboxylate;methyl chromone-3-carboxylate;SCHEMBL10381205;DTXSID80536953

Chemical Property of methyl 4-oxo-4H-1-benzopyran-3-carboxylate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 204.04225873
• Heavy Atom Count: 15
• Complexity: 319

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=COC2=CC=CC=C2C1=O

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