3,4-Heptadienoic acid, methyl ester

Base Information

• Chemical Name: 3,4-Heptadienoic acid, methyl ester
• CAS No.: 81981-06-8
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• DSSTox Substance ID: DTXSID70440959
• Nikkaji Number: J697.230F

Synonyms:3,4-Heptadienoic acid, methyl ester;81981-06-8;DTXSID70440959;3,4-Heptadienoic acid methyl ester;Hepta-3,4-dienoic acid methyl ester

Chemical Property of 3,4-Heptadienoic acid, methyl ester

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=C=CCC(=O)OC

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