1,3-Benzodioxole-5-acetic acid, 6-carboxy-

Base Information

• Chemical Name: 1,3-Benzodioxole-5-acetic acid, 6-carboxy-
• CAS No.: 28281-84-7
• Molecular Formula: C10H8O6
• Molecular Weight: 224.17
• DSSTox Substance ID: DTXSID80461630
• Nikkaji Number: J1.891.792K
• Wikidata: Q82286006
• Mol file: 28281-84-7.mol

Synonyms:1,3-Benzodioxole-5-acetic acid, 6-carboxy-;28281-84-7;SCHEMBL11229391;DTXSID80461630;4,5-methylenedioxyhomophthalic acid;AKOS024328900

Chemical Property of 1,3-Benzodioxole-5-acetic acid, 6-carboxy-

Chemical Property:

• Melting Point: 236 °C (decomp)
• Boiling Point: 452.6±45.0 °C(Predicted)
• PSA: 93.06000
• Density: 1.594±0.06 g/cm3(Predicted)
• LogP: 0.74060
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 224.03208797
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)CC(=O)O)C(=O)O

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