1-Oxoheptan-2-YL acetate

Base Information

• Chemical Name: 1-Oxoheptan-2-YL acetate
• CAS No.: 22094-22-0
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID60518015

Synonyms:1-OXOHEPTAN-2-YL ACETATE;acetoxyheptanal;22094-22-0;SCHEMBL6382812;DTXSID60518015

Chemical Property of 1-Oxoheptan-2-YL acetate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=O)OC(=O)C

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