Phenacyl valproate

Base Information

• Chemical Name: Phenacyl valproate
• CAS No.: 71683-26-6
• Molecular Formula: C16H22 O3
• Molecular Weight: 262.34
• DSSTox Substance ID: DTXSID20992296
• Wikidata: Q82982381
• Mol file: 71683-26-6.mol

Synonyms:phenacyl valproate;valproate phenacyl ester

Chemical Property of Phenacyl valproate

Chemical Property:

• Vapor Pressure: 2.39E-05mmHg at 25°C
• Boiling Point: 359.4°C at 760 mmHg
• Flash Point: 155°C
• PSA: 43.37000
• Density: 1.021g/cm³
• LogP: 3.62890
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 262.15689456
• Heavy Atom Count: 19
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)OCC(=O)C1=CC=CC=C1