Basic information
- CAS
59277-12-2- Standard SMILES
C=CC(C)(O)CS(=O)(=O)c1ccccc1- InChIKey
QBXKGUYJYISGOO-UHFFFAOYSA-N- Molecular formula
- C11H14O3S
- Average molar mass
- 226.29 g/mol
- Monoisotopic mass
- 226.06636548
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-2-methylbut-3-en-2-ol
- IUPAC
- 1-(benzenesulfonyl)-2-methylbut-3-en-2-ol
Names & synonyms
59277-12-21-(benzenesulfonyl)-2-methylbut-3-en-2-olNSC313677DTXSID20317268NSC-313677
Database identifiers
- CAS
59277-12-2- PubChem CID
- 329656
- DTXSID
DTXSID20317268
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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