6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid

HCID 407192

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Basic information

CAS: 5324-63-0
Standard SMILES: CCOC(=O)C(CCCCS(=O)(=O)O)C(=O)OCC
InChIKey: GSMHUXDUEVHXNG-UHFFFAOYSA-N
Molecular formula: C11H20O7S
Average molar mass: 296.34 g/mol
Monoisotopic mass: 296.09297415

Names & identifiers

Preferred name: 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid
IUPAC: 6-ethoxy-5-ethoxycarbonyl-6-oxohexane-1-sulfonic acid

Names & synonyms

5324-63-06-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acidNSC 27136-ETHOXY-5-(ETHOXYCARBONYL)-6-OXOHEXANE-1-SULFONIC ACIDNSC2713SCHEMBL12561322DTXSID002013386-ethoxy-5-ethoxycarbonyl-6-oxo-hexane-1-sulfonic acid

Database identifiers

CAS: 5324-63-0
PubChem CID: 407192
DTXSID: DTXSID00201338

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 19
Formal charge: 0
Complexity: 364

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