4-Hydroxybutyl 4-methylbenzenesulfonate
Basic information
- CAS
6972-09-4- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCCO)cc1- InChIKey
STLYIJKWJRYPCI-UHFFFAOYSA-N- Molecular formula
- C11H16O4S
- Average molar mass
- 244.31 g/mol
- Monoisotopic mass
- 244.07693016
Names & identifiers
- Preferred name
- 4-Hydroxybutyl 4-methylbenzenesulfonate
- IUPAC
- 4-hydroxybutyl 4-methylbenzenesulfonate
Names & synonyms
4-hydroxybutyl 4-methylbenzenesulfonate6972-09-4NSC671754-(4-methylphenyl)sulfonyloxybutan-1-olorb3175967SCHEMBL1545379DTXSID80290169NSC-671754-Hydroxybutyl 4-methylbenzene-1-sulfonateDB-218385
Database identifiers
- CAS
6972-09-4- PubChem CID
- 249156
- DTXSID
DTXSID80290169- Nikkaji
- J1.361.065G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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