Octanoic acid, 3-methyl-4-oxo-

Base Information

• Chemical Name: Octanoic acid, 3-methyl-4-oxo-
• CAS No.: 59086-42-9
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID10482737
• Mol file: 59086-42-9.mol

Synonyms:Octanoic acid, 3-methyl-4-oxo-;59086-42-9;DTXSID10482737;AKOS010910293

Chemical Property of Octanoic acid, 3-methyl-4-oxo-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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