(endo,endo)-Disodium 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate

Base Information

• Chemical Name: (endo,endo)-Disodium 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
• CAS No.: 6385-60-0
• Molecular Formula: C8H6Na2O5
• Molecular Weight: 228.10978
• European Community (EC) Number: 228-984-9
• UNII: 5SG2WQT857
• DSSTox Substance ID: DTXSID6041189
• Nikkaji Number: J216.775A
• Wikidata: Q27262811
• Mol file: 6385-60-0.mol

Synonyms:Aquathol disodium;6385-60-0;(endo,endo)-Disodium 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate;5SG2WQT857;Disodium 7-oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate, (endo,endo)-;7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, disodium salt, (endo,endo)-;EINECS 228-984-9;UNII-5SG2WQT857;(endo,endo)-Disodium 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, disodium salt, (endo)-;SCHEMBL5933986;DTXSID6041189;Q27262811;disodium;(1R,2R,3S,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;7-OXABICYCLO(2.2.1)HEPT-5-ENE-2,3-DICARBOXYLIC ACID, DISODIUM SALT, ENDO-

Chemical Property of (endo,endo)-Disodium 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate

Chemical Property:

• PSA: 89.49000
• LogP: -2.94420
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 228.00106185
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
• Isomeric SMILES: C1=C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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