(Z)-3-Hexenyl 2-oxocyclopentanecarboxylate

Base Information

• Chemical Name: (Z)-3-Hexenyl 2-oxocyclopentanecarboxylate
• CAS No.: 94087-84-0
• Molecular Formula: C12H18O3
• Molecular Weight: 210.2695
• European Community (EC) Number: 301-978-4
• DSSTox Substance ID: DTXSID301246832
• Nikkaji Number: J368.083E
• Mol file: 94087-84-0.mol

Synonyms:EINECS 301-978-4;94087-84-0;(Z)-3-Hexenyl 2-oxocyclopentanecarboxylate;SCHEMBL13331979;DTXSID301246832;(3Z)-3-Hexen-1-yl 2-oxocyclopentanecarboxylate;2-Oxocyclopentanecarboxylic acid (Z)-3-hexenyl ester

Chemical Property of (Z)-3-Hexenyl 2-oxocyclopentanecarboxylate

Chemical Property:

• Vapor Pressure: 0.000541mmHg at 25°C
• Boiling Point: 312.1°Cat760mmHg
• Flash Point: 134.8°C
• PSA: 43.37000
• Density: 1.056g/cm³
• LogP: 2.25510
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 210.125594432
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C1CCCC1=O
• Isomeric SMILES: CC/C=C\CCOC(=O)C1CCCC1=O