1,3-Benzodioxole-2,2-dicarboxylic acid, 5-nitro-, diethyl ester

Base Information

• Chemical Name: 1,3-Benzodioxole-2,2-dicarboxylic acid, 5-nitro-, diethyl ester
• CAS No.: 545368-73-8
• Molecular Formula: C₁₃H₁₃NO₈
• Molecular Weight: 311.248
• DSSTox Substance ID: DTXSID30452775
• Wikidata: Q82273598

Synonyms:545368-73-8;1,3-Benzodioxole-2,2-dicarboxylic acid, 5-nitro-, diethyl ester;SCHEMBL1168124;DTXSID30452775

Chemical Property of 1,3-Benzodioxole-2,2-dicarboxylic acid, 5-nitro-, diethyl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 311.06411637
• Heavy Atom Count: 22
• Complexity: 441

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C(=O)OCC

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