2-(Benzenesulfonyl)hept-1-EN-3-OL
Basic information
- CAS
110362-35-1- Standard SMILES
C=C(C(O)CCCC)S(=O)(=O)c1ccccc1- InChIKey
FKZVRELCFPCPEA-UHFFFAOYSA-N- Molecular formula
- C13H18O3S
- Average molar mass
- 254.35 g/mol
- Monoisotopic mass
- 254.09766561
Names & identifiers
- Preferred name
- 2-(Benzenesulfonyl)hept-1-EN-3-OL
- IUPAC
- 2-(benzenesulfonyl)hept-1-en-3-ol
Names & synonyms
2-(BENZENESULFONYL)HEPT-1-EN-3-OL110362-35-1DTXSID20546430
Database identifiers
- CAS
110362-35-1- PubChem CID
- 13675150
- DTXSID
DTXSID20546430
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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