3-Oxovalproic acid

Base Information

• Chemical Name: 3-Oxovalproic acid
• CAS No.: 60113-81-7
• Molecular Formula: C8H14O3
• Molecular Weight: 158.19
• Hs Code.: 2918300090
• UNII: HIZ0PV4PQ1
• DSSTox Substance ID: DTXSID60975543
• Nikkaji Number: J415.931D
• Wikidata: Q27149687
• Metabolomics Workbench ID: 71638
• ChEMBL ID: CHEMBL3706506
• Mol file: 60113-81-7.mol

Synonyms:2-n-propyl-3-oxopentanoic acid;3-oxo-VPA

Chemical Property of 3-Oxovalproic acid

Chemical Property:

• Vapor Pressure: 0.00226mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 267.9 °C at 760 mmHg
• PKA: 3.52±0.20(Predicted)
• Flash Point: 130.1 °C
• PSA: 54.37000
• Density: 1.035 g/cm³
• LogP: 1.46640
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

2-N-PROPYL-3-OXOPENTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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