3-butanoyl-7-hydroxy-2H-chromen-2-one

Base Information

• Chemical Name: 3-butanoyl-7-hydroxy-2H-chromen-2-one
• CAS No.: 19491-89-5
• Molecular Formula: C13H12O4
• Molecular Weight: 232.23200
• DSSTox Substance ID: DTXSID70432213
• Wikidata: Q82246270
• Mol file: 19491-89-5.mol

Synonyms:3-butanoyl-7-hydroxy-2H-chromen-2-one;19491-89-5;3-butyryl-7-hydroxycoumarin;2H-1-Benzopyran-2-one, 7-hydroxy-3-(1-oxobutyl)-;3-BUTANOYL-7-HYDROXYCHROMEN-2-ONE;SCHEMBL5905805;DTXSID70432213;PLTCLOZYLFQMLA-UHFFFAOYSA-N;BBL029146;MFCD01073626;STK991563;AKOS001514223;VS-09126;FT-0747179;EN300-186401

Chemical Property of 3-butanoyl-7-hydroxy-2H-chromen-2-one

Chemical Property:

• Boiling Point: 475.0±45.0 °C(Predicted)
• PKA: 7.36±0.20(Predicted)
• PSA: 67.51000
• Density: 1.306±0.06 g/cm3(Predicted)
• LogP: 2.48140
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.07355886
• Heavy Atom Count: 17
• Complexity: 358

Purity/Quality:

99.90% ^*data from raw suppliers

3-BUTYRYL-7-HYDROXY-2H-CHROMEN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O