Basic information
- CAS
81349-07-7- Standard SMILES
COc1ccc(C=O)cc1S(=O)(=O)O- InChIKey
CXANNMZOMWEXTN-UHFFFAOYSA-N- Molecular formula
- C8H8O5S
- Average molar mass
- 216.21 g/mol
- Monoisotopic mass
- 216.00924453
Names & identifiers
- Preferred name
- 5-Formyl-2-methoxybenzenesulfonic acid
- IUPAC
- 5-formyl-2-methoxybenzenesulfonic acid
Names & synonyms
5-formyl-2-methoxybenzenesulfonic acid81349-07-7Benzenesulfonic acid, 5-formyl-2-methoxy-JMU75C3VBWSCHEMBL6362025SCHEMBL7526655
Database identifiers
- CAS
81349-07-7- PubChem CID
- 79366
- UNII
- JMU75C3VBW
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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