1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid

Base Information

• Chemical Name: 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid
• CAS No.: 4705-04-8
• Molecular Formula: C9H8O5
• Molecular Weight: 196.1568
• NSC Number: 128357
• DSSTox Substance ID: DTXSID50299129

Synonyms:4705-04-8;1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid;NSC128357;DTXSID50299129;NSC-128357

Chemical Property of 1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.38E-09mmHg at 25°C
• Boiling Point: 456°Cat760mmHg
• Flash Point: 192.3°C
• Density: 1.505g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 196.03717335
• Heavy Atom Count: 14
• Complexity: 343

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC(C2C1C(=O)OC2=O)C(=O)O

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