Basic information
- CAS
69270-25-3- Standard SMILES
O=C(O)c1cccc(C(=O)O)c1S(=O)c1ccccc1- InChIKey
OYWYOCSGOVGAIW-UHFFFAOYSA-N- Molecular formula
- C14H10O5S
- Average molar mass
- 290.29 g/mol
- Monoisotopic mass
- 290.02489459
Names & identifiers
- Preferred name
- 2-(Benzenesulfinyl)benzene-1,3-dicarboxylic acid
- IUPAC
- 2-(benzenesulfinyl)benzene-1,3-dicarboxylic acid
Names & synonyms
69270-25-32-(benzenesulfinyl)benzene-1,3-dicarboxylic acidNSC266281DTXSID80313120NSC-266281
Database identifiers
- CAS
69270-25-3- PubChem CID
- 320101
- DTXSID
DTXSID80313120
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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