3,3',3'',3'''-(4-Methyl-2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanoic acid

Base Information

• Chemical Name: 3,3',3'',3'''-(4-Methyl-2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanoic acid
• CAS No.: 61502-76-9
• Molecular Formula: C19H28O9
• Molecular Weight: 400.42000
• DSSTox Substance ID: DTXSID40605114

Synonyms:61502-76-9;SCHEMBL11656104;DTXSID40605114;3,3',3'',3'''-(4-Methyl-2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanoic acid

Chemical Property of 3,3',3'',3'''-(4-Methyl-2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanoic acid

Chemical Property:

• Boiling Point: 704.1±25.0 °C(Predicted)
• PSA: 166.27000
• Density: 1.272±0.06 g/cm3(Predicted)
• LogP: 2.41740
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 400.17333247
• Heavy Atom Count: 28
• Complexity: 601

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(=O)C1(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O

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