Methyl 2-acetylhexanoate

Base Information

• Chemical Name: Methyl 2-acetylhexanoate
• CAS No.: 32798-42-8
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID10501412
• Nikkaji Number: J132.488H
• Mol file: 32798-42-8.mol

Synonyms:Methyl 2-acetylhexanoate;32798-42-8;SCHEMBL5731151;DTXSID10501412;PYYFKCZKDCTZBH-UHFFFAOYSA-N;AKOS018608183

Chemical Property of Methyl 2-acetylhexanoate

Chemical Property:

• PSA: 43.37000
• LogP: 1.55480
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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