3,4-Pentadienoic acid, ethyl ester

Base Information

• Chemical Name: 3,4-Pentadienoic acid, ethyl ester
• CAS No.: 30332-99-1
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• DSSTox Substance ID: DTXSID70448677
• Nikkaji Number: J448.067H
• Mol file: 30332-99-1.mol

Synonyms:3,4-Pentadienoic acid, ethyl ester;30332-99-1;Ethyl Penta-3,4-dienoate;ethyl 3,4-pentadienoate;ethyl 2,3-butadienecarboxylate;SCHEMBL20109320;DTXSID70448677;3,4-Pentadienoic acid ethyl ester;penta-3,4-dienoic acid ethyl ester;EN300-7447620

Chemical Property of 3,4-Pentadienoic acid, ethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 1.28070
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC=C=C

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