Basic information
- Standard SMILES
CCCOc1cccc(CCCOS(C)(=O)=O)c1- InChIKey
SIJBGCVWQJWLDS-UHFFFAOYSA-N- Molecular formula
- C13H20O4S
- Average molar mass
- 272.36 g/mol
Names & identifiers
- Preferred name
- 3-(3-Propoxyphenyl)propyl methanesulfonate
- IUPAC
- 3-(3-propoxyphenyl)propyl methanesulfonate
Names & synonyms
SCHEMBL7216584SIJBGCVWQJWLDS-UHFFFAOYSA-N3-(3-propoxyphenyl)propyl methanesulfonate
Database identifiers
- PubChem CID
- 22990153
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
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