2-Benzylmalic acid

Base Information

• Chemical Name: 2-Benzylmalic acid
• CAS No.: 16947-49-2
• Molecular Formula: C11H12 O5
• Molecular Weight: 224.21
• DSSTox Substance ID: DTXSID00920456
• Mol file: 16947-49-2.mol

Synonyms:2-benzylmalic acid;alpha-benzylmalic acid

Chemical Property of 2-Benzylmalic acid

Chemical Property:

• Vapor Pressure: 2.76E-06mmHg at 25°C
• Boiling Point: 374.9°Cat760mmHg
• PKA: 3.58±0.11(Predicted)
• Flash Point: 194.7°C
• PSA: 94.83000
• Density: 1.413g/cm³
• LogP: 0.51950
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 224.06847348
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(CC(=O)O)(C(=O)O)O