Isoeugenitin

Base Information

• Chemical Name: Isoeugenitin
• CAS No.: 519-18-6
• Molecular Formula: C12H12O4
• Molecular Weight: 220.22
• UNII: X5SHN96AQD
• DSSTox Substance ID: DTXSID901211170
• Nikkaji Number: J11.806K
• Wikidata: Q104977704
• Mol file: 519-18-6.mol

Synonyms:Isoeugenitin;X5SHN96AQD;519-18-6;5-hydroxy-7-methoxy-2,8-dimethyl-4h-1-benzopyran-4-one;UNII-X5SHN96AQD;7-Methoxy-2,8-dimethyl-5-oxidanyl-chromen-4-one;4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2,8-dimethyl-;CHEBI:174117;DTXSID901211170;3-amino-4-(4-toluidino)benzoic acid;5-HYDROXY-7-METHOXY-2,8-DIMETHYLCHROMEN-4-ONE

Chemical Property of Isoeugenitin

Chemical Property:

• Melting Point: 147-148 °C
• Boiling Point: 405.8±45.0 °C(Predicted)
• PSA: 59.67000
• Density: 1.267±0.06 g/cm3(Predicted)
• LogP: 2.12400
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.07355886
• Heavy Atom Count: 16
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C