3H-Cyclopenta[A]azulen-3-one

Base Information

• Chemical Name: 3H-Cyclopenta[A]azulen-3-one
• CAS No.: 140666-49-5
• Molecular Formula: C13H8O
• Molecular Weight: 180.206
• DSSTox Substance ID: DTXSID90566948
• Nikkaji Number: J502.541I
• Mol file: 140666-49-5.mol

Synonyms:140666-49-5;SCHEMBL25620725;DTXSID90566948;3H-CYCLOPENTA[A]AZULEN-3-ONE

Chemical Property of 3H-Cyclopenta[A]azulen-3-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 180.057514874
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C=CC(=O)C3=C2C=C1