(2-exo,3-exo,5-endo)-5-Phenyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid

Base Information

• Chemical Name: (2-exo,3-exo,5-endo)-5-Phenyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid
• CAS No.: 109282-34-0
• Molecular Formula: C14H14 O5
• Molecular Weight: 262.258
• DSSTox Substance ID: DTXSID00911081
• Wikidata: Q76156724
• Mol file: 109282-34-0.mol

Synonyms:(2-exo,3-exo,5-endo)-5-Phenyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid;7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-phenyl-, (2-exo,3-exo,5-endo)-;109282-34-0;DTXSID00911081;LS-98752;5-Phenyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Chemical Property of (2-exo,3-exo,5-endo)-5-Phenyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.04E-11mmHg at 25°C
• Boiling Point: 521.6°C at 760 mmHg
• Flash Point: 203.6°C
• Density: 1.418g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 262.08412354
• Heavy Atom Count: 19
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2C(C(C1O2)C(=O)O)C(=O)O)C3=CC=CC=C3
• Isomeric SMILES: C1[C@H]([C@@H]2[C@@H]([C@@H]([C@H]1O2)C(=O)O)C(=O)O)C3=CC=CC=C3