3-Methyleneheptanoic acid

Base Information

• Chemical Name: 3-Methyleneheptanoic acid
• CAS No.: 84817-84-5
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID60523280
• Metabolomics Workbench ID: 1140
• Nikkaji Number: J2.363.360D
• Wikidata: Q82389282
• Mol file: 84817-84-5.mol

Synonyms:3-Methyleneheptanoic acid;3-methylideneheptanoic acid;84817-84-5;3-Methyleneheptanoicacid;SCHEMBL3504677;DTXSID60523280;CHEBI:180306;LMFA01030800;AKOS006377041

Chemical Property of 3-Methyleneheptanoic acid

Chemical Property:

• Boiling Point: 239.8±9.0 °C(Predicted)
• PSA: 37.30000
• Density: 0.947±0.06 g/cm3(Predicted)
• LogP: 2.20750
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=C)CC(=O)O