Cyclohexane-1,3,5-trione

Base Information

• Chemical Name: Cyclohexane-1,3,5-trione
• CAS No.: 30770-49-1
• Molecular Formula: C6H6 O3
• Molecular Weight: 126.112
• DSSTox Substance ID: DTXSID60595245
• Nikkaji Number: J3.160.229G
• Wikidata: Q82490224
• Mol file: 30770-49-1.mol

Synonyms:cyclohexane-1,3,5-trione;30770-49-1;1,3,5-Cyclohexanetrione;SCHEMBL232122;DTXSID60595245

Chemical Property of Cyclohexane-1,3,5-trione

Chemical Property:

• PSA: 51.21000
• LogP: -0.12240
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.031694049
• Heavy Atom Count: 9
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)CC(=O)CC1=O