4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl acetate

Base Information

• Chemical Name: 4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl acetate
• CAS No.: 97652-17-0
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• DSSTox Substance ID: DTXSID60539886
• Nikkaji Number: J2.460.194C
• Mol file: 97652-17-0.mol

Synonyms:97652-17-0;4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl acetate;DTXSID60539886;5-acetoxy-2-hydroxy-2,4,6-cycloheptatrien-1-one

Chemical Property of 4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl acetate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C(=O)C=C1)O