5-endo-(Ethoxycarbonyl)endothall anhydride

Base Information

• Chemical Name: 5-endo-(Ethoxycarbonyl)endothall anhydride
• CAS No.: 127311-88-0
• Molecular Formula: C11H12 O6
• Molecular Weight: 240.21
• DSSTox Substance ID: DTXSID50925850
• Wikidata: Q76279647
• Mol file: 127311-88-0.mol

Synonyms:5-endo-(Ethoxycarbonyl)endothall anhydride;127311-88-0;4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, ethyl ester, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-;DTXSID50925850;LS-64060;Ethyl 1,3-dioxooctahydro-4,7-epoxy-2-benzofuran-5-carboxylate

Chemical Property of 5-endo-(Ethoxycarbonyl)endothall anhydride

Chemical Property:

• Vapor Pressure: 9.87E-07mmHg at 25°C
• Boiling Point: 403.9°Cat760mmHg
• Flash Point: 183.3°C
• PSA: 78.90000
• Density: 1.424g/cm³
• LogP: -0.34740
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 240.06338810
• Heavy Atom Count: 17
• Complexity: 403

Purity/Quality:

5-ENDO-(ETHOXYCARBONYL)ENDOTHALL ANHYDRIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC2C3C(C1O2)C(=O)OC3=O
• Isomeric SMILES: CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H]1O2)C(=O)OC3=O