Basic information
- CAS
90923-51-6- Standard SMILES
CCNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1- InChIKey
CXKNEFNHRUCBAY-UHFFFAOYSA-N- Molecular formula
- C10H11NO6S
- Average molar mass
- 273.26 g/mol
- Monoisotopic mass
- 273.03070824
Names & identifiers
- Preferred name
- 5-(Ethylsulfamoyl)benzene-1,3-dicarboxylic acid
- IUPAC
- 5-(ethylsulfamoyl)benzene-1,3-dicarboxylic acid
Names & synonyms
90923-51-65-(ethylsulfamoyl)benzene-1,3-dicarboxylic acidNSC85660SCHEMBL13451131DTXSID50920062NSC-85660
Database identifiers
- CAS
90923-51-6- PubChem CID
- 257553
- DTXSID
DTXSID50920062
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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