Dalbergione

Base Information

• Chemical Name: Dalbergione
• CAS No.: 24946-69-8
• Molecular Formula: C15H12 O2
• Molecular Weight: 224.2546
• UNII: 0V7W645V9H
• DSSTox Substance ID: DTXSID00947825
• Wikidata: Q27237291
• Metabolomics Workbench ID: 155643
• ChEMBL ID: CHEMBL1514569
• Mol file: 24946-69-8.mol

Synonyms:DALBERGIONE;UNII-0V7W645V9H;0V7W645V9H;2,5-Cyclohexadiene-1,4-dione, 2-(1-phenyl-2-propenyl)-;24946-69-8;2-(1-Phenyl-2-propenyl)-2,5-cyclohexadiene-1,4-dione;KBio1_001578;Spectrum_000733;SpecPlus_000538;Spectrum2_001158;Spectrum3_000210;Spectrum4_001612;Spectrum5_000363;BSPBio_001799;KBioGR_001983;KBioSS_001213;SPECTRUM201281;DivK1c_006634;SPBio_001115;CHEMBL1514569;SCHEMBL17107121;KBio2_001213;KBio2_003781;KBio2_006349;KBio3_001299;DTXSID00947825;CCG-38578;SDCCGMLS-0066432.P001;NCGC00095502-01;NCGC00095502-02;P-BENZOQUINONE, (.ALPHA.-VINYLBENZYL)-;SR-05000002472;SR-05000002472-1;Q27237291;2-(1-PHENYLPROP-2-EN-1-YL)CYCLOHEXA-2,5-DIENE-1,4-DIONE

Chemical Property of Dalbergione

Chemical Property:

• Vapor Pressure: 6.28E-05mmHg at 25°C
• Boiling Point: 345.2°Cat760mmHg
• Flash Point: 129.5°C
• Density: 1.172g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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