Citrubuntin

Base Information

• Chemical Name: Citrubuntin
• CAS No.: 74794-83-5
• Molecular Formula: C15H14O3
• Molecular Weight: 242.27000
• DSSTox Substance ID: DTXSID401161457
• Nikkaji Number: J1.443.675H
• Wikidata: Q76423572

Synonyms:Citrubuntin;Suberodiene;Dehydrosuberosin;CHEBI:173747;DTXSID401161457;74794-83-5;7-methoxy-6-[(1E)-3-methylbuta-1,3-dienyl]chromen-2-one;7-Methoxy-6-(3-methyl-1,3-butadienyl)-2H-1-benzopyran-2-one, 9CI;7-Methoxy-6-[(1E)-3-methyl-1,3-butadien-1-yl]-2H-1-benzopyran-2-one

Chemical Property of Citrubuntin

Chemical Property:

• PSA: 39.44000
• LogP: 3.39090
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC
• Isomeric SMILES: CC(=C)/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC

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