12,14-Nonacosanedione

Base Information

• Chemical Name: 12,14-Nonacosanedione
• CAS No.: 58141-94-9
• Molecular Formula: C29H56O2
• Molecular Weight: 436.75400
• DSSTox Substance ID: DTXSID70340844
• Nikkaji Number: J146.873A
• Wikidata: Q82110696
• Metabolomics Workbench ID: 47748
• Mol file: 58141-94-9.mol

Synonyms:12,14-Nonacosanedione;nonacosane-12,14-dione;58141-94-9;Nonacosan-12,14-dion;SCHEMBL7760601;DTXSID70340844;CHEBI:176727

Chemical Property of 12,14-Nonacosanedione

Chemical Property:

• PSA: 34.14000
• LogP: 9.91690
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 26
• Exact Mass: 436.42803102
• Heavy Atom Count: 31
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC

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