Suberenone

Base Information

• Chemical Name: Suberenone
• CAS No.: 35897-95-1
• Molecular Formula: C14H12O4
• Molecular Weight: 0
• UNII: XNF6K5GV6B
• DSSTox Substance ID: DTXSID501188696
• Nikkaji Number: J19.117E
• Wikidata: Q76303599
• Metabolomics Workbench ID: 44468
• Mol file: 35897-95-1.mol

Synonyms:SUBERENONE;35897-95-1;7-methoxy-6-[(E)-3-oxobut-1-enyl]chromen-2-one;CHEBI:174256;DTXSID501188696;7-Methoxy-6-(3-oxo-1-butenyl)coumarin;7-Methoxy-6-(3-oxo-1-butenyl)-2H-1-benzopyran-2-one, 9CI;7-methoxy-6-[(1E)-3-oxobut-1-en-1-yl]-2H-chromen-2-one;7-Methoxy-6-[(E)-3-oxo-1-butenyl]-2H-1-benzopyran-2-one;7-Methoxy-6-[(1E)-3-oxo-1-buten-1-yl]-2H-1-benzopyran-2-one

Chemical Property of Suberenone

Chemical Property:

• PSA: 56.51000
• LogP: 2.40380
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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