5-Butyl-2-hydroxybenzene-1-sulfonic acid
Basic information
- CAS
62266-79-9- Standard SMILES
CCCCc1ccc(O)c(S(=O)(=O)O)c1- InChIKey
VYAGHYUFKLOIAP-UHFFFAOYSA-N- Molecular formula
- C10H14O4S
- Average molar mass
- 230.28 g/mol
- Monoisotopic mass
- 230.0612801
Names & identifiers
- Preferred name
- 5-Butyl-2-hydroxybenzene-1-sulfonic acid
- IUPAC
- 5-butyl-2-hydroxybenzenesulfonic acid
Names & synonyms
62266-79-95-Butyl-2-hydroxybenzene-1-sulfonic acidDTXSID00614186
Database identifiers
- CAS
62266-79-9- PubChem CID
- 21454073
- DTXSID
DTXSID00614186- Nikkaji
- J1.392.942D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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