2-Hydroxy-1-[(prop-2-en-1-yl)oxy]propane-1-sulfonic acid
Basic information
- CAS
736110-50-2- Standard SMILES
C=CCOC(C(C)O)S(=O)(=O)O- InChIKey
RLLIGGXITPQSKK-UHFFFAOYSA-N- Molecular formula
- C6H12O5S
- Average molar mass
- 196.22 g/mol
- Monoisotopic mass
- 196.04054465
Names & identifiers
- Preferred name
- 2-Hydroxy-1-[(prop-2-en-1-yl)oxy]propane-1-sulfonic acid
- IUPAC
- 2-hydroxy-1-prop-2-enoxypropane-1-sulfonic acid
Names & synonyms
736110-50-2SCHEMBL103868SCHEMBL6848029DTXSID205614062-Hydroxy-1-[(prop-2-en-1-yl)oxy]propane-1-sulfonic acid
Database identifiers
- CAS
736110-50-2- PubChem CID
- 14535604
- DTXSID
DTXSID20561406- Nikkaji
- J3.342.955J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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