Methyl 7-oxohept-5-ynoate

Base Information

• Chemical Name: Methyl 7-oxohept-5-ynoate
• CAS No.: 85800-97-1
• Molecular Formula: C₈H₁₀O₃
• Molecular Weight: 154.166
• DSSTox Substance ID: DTXSID50544525
• Nikkaji Number: J402.206H
• Wikidata: Q82421645
• Mol file: 85800-97-1.mol

Synonyms:METHYL 7-OXOHEPT-5-YNOATE;85800-97-1;SCHEMBL10558736;DTXSID50544525

Chemical Property of Methyl 7-oxohept-5-ynoate

Chemical Property:

• PSA: 43.37000
• LogP: 0.53200
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCC#CC=O