3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid

Base Information

• Chemical Name: 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid
• CAS No.: 66410-82-0
• Molecular Formula: C11H13 N O6 S
• Molecular Weight: 287.28902
• European Community (EC) Number: 266-352-4
• DSSTox Substance ID: DTXSID30216637
• Nikkaji Number: J286.787G
• Wikidata: Q83092893

Synonyms:66410-82-0;3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid;EINECS 266-352-4;SCHEMBL11260491;DTXSID30216637;3,4-Dihydro-8-[(methylamino)sulfonyl]-2H-1,5-benzodioxepin-6-carboxylic acid;3,4-DIHYDRO-8-[(METHYLAMINO)SULFONYL]-2H-BENZO-1,5-DIOXEPIN-6-CARBOXYLIC ACID

Chemical Property of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.34E-10mmHg at 25°C
• Boiling Point: 494.6°C at 760 mmHg
• Flash Point: 252.9°C
• PSA: 110.31000
• Density: 1.442g/cm³
• LogP: 1.92590
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 287.04635831
• Heavy Atom Count: 19
• Complexity: 431

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC(=C2C(=C1)OCCCO2)C(=O)O

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