Basic information
- CAS
191411-82-2- Standard SMILES
O=S(CCCCP(=O)(O)O)c1ccccc1O- InChIKey
FFIGWLBWBXCVHW-UHFFFAOYSA-N- Molecular formula
- C10H15O5PS
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.03778175
Names & identifiers
- Preferred name
- Phosphonic acid, [4-[(2-hydroxyphenyl)sulfinyl]butyl]-
- IUPAC
- 4-(2-hydroxyphenyl)sulfinylbutylphosphonic acid
Names & synonyms
191411-82-2Phosphonic acid, [4-[(2-hydroxyphenyl)sulfinyl]butyl]-SCHEMBL6517290CHEMBL1160527DTXSID40274324PD036561[4-(2-Hydroxybenzene-1-sulfinyl)butyl]phosphonic acid
Database identifiers
- CAS
191411-82-2- PubChem CID
- 1704
- DTXSID
DTXSID40274324- ChEMBL
CHEMBL1160527- Nikkaji
- J1.260.636B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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