Dimethyl (3-hexyl-2-oxo-3-cyclopenten-1-yl)malonate

Base Information

• Chemical Name: Dimethyl (3-hexyl-2-oxo-3-cyclopenten-1-yl)malonate
• CAS No.: 72187-23-6
• Molecular Formula: C16H24 O5
• Molecular Weight: 296.35876
• European Community (EC) Number: 276-448-8
• DSSTox Substance ID: DTXSID10888098
• Nikkaji Number: J299.045H
• Mol file: 72187-23-6.mol

Synonyms:72187-23-6;Dimethyl (3-hexyl-2-oxo-3-cyclopenten-1-yl)malonate;EINECS 276-448-8;Propanedioic acid, (3-hexyl-2-oxo-3-cyclopenten-1-yl)-, dimethyl ester;Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester;Dimethyl (2-hexyl-3-oxocyclopent-1-en-4-yl)propanedioic acid;DTXSID10888098;Dimethyl(3-hexyl-2-oxo-3-cyclopenten-1-yl)malonate;2-(3-Hexyl-2-oxo-3-cyclopentenyl)propanedioic acid dimethyl ester

Chemical Property of Dimethyl (3-hexyl-2-oxo-3-cyclopenten-1-yl)malonate

Chemical Property:

• Vapor Pressure: 3.97E-06mmHg at 25°C
• Boiling Point: 384.8°C at 760 mmHg
• Flash Point: 166.4°C
• PSA: 69.67000
• Density: 1.088g/cm³
• LogP: 2.43440
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 296.16237386
• Heavy Atom Count: 21
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CCC(C1=O)C(C(=O)OC)C(=O)OC

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