4-(1,3-Benzoxathiol-2-yl)-alpha-methylbenzeneacetic acid

Base Information

• Chemical Name: 4-(1,3-Benzoxathiol-2-yl)-alpha-methylbenzeneacetic acid
• CAS No.: 52787-33-4
• Molecular Formula: C16H14O3S
• Molecular Weight: 286.3456
• DSSTox Substance ID: DTXSID20967242
• Nikkaji Number: J73.212E
• Mol file: 52787-33-4.mol

Synonyms:4-(1,3-Benzoxathiol-2-yl)-alpha-methylbenzeneacetic acid;52787-33-4;BENZENEACETIC ACID, 4-(1,3-BENZOXATHIOL-2-YL)-alpha-METHYL-;DTXSID20967242;LS-28615;2-[4-(2H-1,3-Benzoxathiol-2-yl)phenyl]propanoic acid

Chemical Property of 4-(1,3-Benzoxathiol-2-yl)-alpha-methylbenzeneacetic acid

Chemical Property:

• Vapor Pressure: 1.1E-09mmHg at 25°C
• Boiling Point: 471.3°Cat760mmHg
• Flash Point: 238.8°C
• PSA: 71.83000
• Density: 1.313g/cm³
• LogP: 4.05800
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 286.06636548
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C2OC3=CC=CC=C3S2)C(=O)O

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