[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
Basic information
- CAS
38435-08-4- Standard SMILES
COC(CCS(=O)(=O)c1ccccc1)(OC)OC- InChIKey
XRCCOBJCZBBJPM-UHFFFAOYSA-N- Molecular formula
- C12H18O5S
- Average molar mass
- 274.34 g/mol
Names & identifiers
- Preferred name
- [(3,3,3-Trimethoxypropyl)sulfonyl]benzene
- IUPAC
- 3,3,3-trimethoxypropylsulfonylbenzene
- English name
- Trimethyl 3-(phenylsulfonyl)-orthopropionate)
- Molecular formula
- C12H18O5S
- Molecular weight
- 274.33
Names & synonyms
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene38435-08-4SCHEMBL6543488DB-372383Benzene, [(3,3,3-trimethoxypropyl)sulfonyl]-Trimethyl 3-(phenylsulfonyl)-orthopropionate)
Database identifiers
- CAS
38435-08-4- Nikkaji
- J1.017.489I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 410.8 · 410.8±45.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
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Compound notes
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