(1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid

Base Information

• Chemical Name: (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid
• CAS No.: 117580-15-1
• Molecular Formula: C10H12 O6
• Molecular Weight: 228.2
• DSSTox Substance ID: DTXSID70922462
• Mol file: 117580-15-1.mol

Synonyms:(1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid;prephenyllactate

Chemical Property of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid

Chemical Property:

• Vapor Pressure: 3.35E-14mmHg at 25°C
• Boiling Point: 546.1°Cat760mmHg
• Flash Point: 298.1°C
• PSA: 115.06000
• Density: 1.549g/cm³
• LogP: -0.62010
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 228.06338810
• Heavy Atom Count: 16
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(C=CC1O)(CC(C(=O)O)O)C(=O)O