3-Acetyl-2-hydroxy-2,4,6-cycloheptatrien-1-one

Base Information

• Chemical Name: 3-Acetyl-2-hydroxy-2,4,6-cycloheptatrien-1-one
• CAS No.: 72023-82-6
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• DSSTox Substance ID: DTXSID00400203
• Nikkaji Number: J339.752A
• Mol file: 72023-82-6.mol

Synonyms:3-Acetyltropolone;72023-82-6;3-acetyl-2-hydroxy-2,4,6-cycloheptatrien-1-one;3-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one;344296-45-3;DTXSID00400203;AKOS006346537;AN-584/43416481;2,4,6-Cycloheptatrien-1-one,2-acetyl-7-hydroxy-(9ci)

Chemical Property of 3-Acetyl-2-hydroxy-2,4,6-cycloheptatrien-1-one

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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