Basic information
- CAS
5093-01-6- Standard SMILES
O=C(O)c1ccccc1S(=O)(=O)[O-]- InChIKey
ZMPRRFPMMJQXPP-UHFFFAOYSA-M- Molecular formula
- C7H5O5S-
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 200.98576943
Names & identifiers
- Preferred name
- 2-Carboxybenzenesulfonate
- IUPAC
- 2-carboxybenzenesulfonate
Names & synonyms
2-carboxybenzenesulfonateDTXSID403895835093-01-6RefChem:258152DTXCID103404442-Carboxybenzene-1-sulfonateAKOS000641238ST50748751
Database identifiers
- CAS
5093-01-6- PubChem CID
- 3127069
- DTXSID
DTXSID40389583
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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