2-Heptenal

Base Information

• Chemical Name: 2-Heptenal
• CAS No.: 29381-66-6
• Molecular Formula: C7H12O
• Molecular Weight: 112.1696
• European Community (EC) Number: 219-563-0,242-608-0
• UNII: 4NJZ8GMQ6F
• DSSTox Substance ID: DTXSID4062436,DTXSID30880832
• Nikkaji Number: J216.105B,J110.416K
• Wikidata: Q27260256
• Metabolomics Workbench ID: 3417
• ChEMBL ID: CHEMBL454759
• Mol file: 29381-66-6.mol

Synonyms:2-hept-enal;2-heptenal;2-heptenal, (E)-isomer

Chemical Property of 2-Heptenal

Chemical Property:

• Boiling Point: 166°Cat760mmHg
• Flash Point: 53.3°C
• Density: 0.83g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 74.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCC=CC=O
• Isomeric SMILES: CCCC/C=C/C=O

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