6-Octenoic acid, 7-methyl-3-oxo-, methyl ester

Base Information

• Chemical Name: 6-Octenoic acid, 7-methyl-3-oxo-, methyl ester
• CAS No.: 53067-23-5
• Molecular Formula: C10H16O3
• Molecular Weight: 184.235
• DSSTox Substance ID: DTXSID60448020
• Nikkaji Number: J305.772K
• Mol file: 53067-23-5.mol

Synonyms:6-Octenoic acid, 7-methyl-3-oxo-, methyl ester;53067-23-5;METHYL 7-METHYL-3-OXOOCT-6-ENOATE;3-oxo-7-methyl-6-octenoic acid methyl ester;SCHEMBL6980084;DTXSID60448020;KBSCGAWMTGHTPV-UHFFFAOYSA-N;methyl 7-methyl-3-oxo-6-octenoate;AKOS006271878

Chemical Property of 6-Octenoic acid, 7-methyl-3-oxo-, methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 1.86500
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=O)CC(=O)OC)C