Benzoic acid, 4-formyl-3-sulfo-
Basic information
- CAS
687987-64-0- Standard SMILES
O=Cc1ccc(C(=O)O)cc1S(=O)(=O)O- InChIKey
ZKYPGAGIMYIODA-UHFFFAOYSA-N- Molecular formula
- C8H6O6S
- Average molar mass
- 230.2 g/mol
- Monoisotopic mass
- 229.98850908
Names & identifiers
- Preferred name
- Benzoic acid, 4-formyl-3-sulfo-
- IUPAC
- 4-formyl-3-sulfobenzoic acid
Names & synonyms
Benzoic acid, 4-formyl-3-sulfo-687987-64-04-formyl-3-sulfobenzoic acidSCHEMBL11614498DTXSID30458752
Database identifiers
- CAS
687987-64-0- PubChem CID
- 11206960
- DTXSID
DTXSID30458752
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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