5-endo-Carboxyendothall anhydride

Base Information

• Chemical Name: 5-endo-Carboxyendothall anhydride
• CAS No.: 127311-90-4
• Molecular Formula: C9H8 O6
• Molecular Weight: 212.156
• DSSTox Substance ID: DTXSID70925852
• Wikidata: Q76279654
• Mol file: 127311-90-4.mol

Synonyms:5-endo-Carboxyendothall anhydride;127311-90-4;4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-;(1R,2S,6R,7S,8R)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylic acid;4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, (3a-al pha,4-beta,5-alpha,7-beta,7a-;DTXSID70925852;LS-64059;1,3-Dioxooctahydro-4,7-epoxy-2-benzofuran-5-carboxylic acid

Chemical Property of 5-endo-Carboxyendothall anhydride

Chemical Property:

• Vapor Pressure: 3.04E-12mmHg at 25°C
• Boiling Point: 520.8°C at 760 mmHg
• PKA: 3.94±0.20(Predicted)
• Flash Point: 219.7°C
• PSA: 89.90000
• Density: 1.673g/cm³
• LogP: -0.82590
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 212.03208797
• Heavy Atom Count: 15
• Complexity: 375

Purity/Quality:

98%min ^*data from raw suppliers

4,7-EPOXYISOBENZOFURAN-5-CARBOXYLIC ACID, OCTAHYDRO-1,3-DIOXO-, (3A-AL PHA,4-BETA,5-ALPHA,7-BETA,7A-ALPHA)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2C3C(C1O2)C(=O)OC3=O)C(=O)O
• Isomeric SMILES: C1[C@H]([C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O)C(=O)O