3-Isopropenyl-6-oxoheptanoic acid

Base Information

• Chemical Name: 3-Isopropenyl-6-oxoheptanoic acid
• CAS No.: 4436-82-2
• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.235
• UNII: 1NC781145Q
• DSSTox Substance ID: DTXSID00963207
• Nikkaji Number: J1.014.517A
• Wikidata: Q27133171
• Mol file: 4436-82-2.mol

Synonyms:3-Isopropenyl-6-oxoheptanoic acid;4436-82-2;FEMA No. 4461;6-oxo-3-(prop-1-en-2-yl)heptanoic acid;Heptanoic acid, 3-isopropenyl-6-oxo-;6-oxo-3-prop-1-en-2-ylheptanoic acid;UNII-1NC781145Q;(+/-)-3-Isopropenyl-6-oxoheptanoic acid;3-Isopropenyl-6-oxoheptanoic acid, (+/-)-;Heptanoic acid, 3-(1-methylethenyl)-6-oxo-;1NC781145Q;limononic acid;SCHEMBL18339364;CHEBI:64264;DTXSID00963207;AKOS006294503;Q27133171

Chemical Property of 3-Isopropenyl-6-oxoheptanoic acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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