Basic information
- CAS
57816-03-2- Standard SMILES
COc1cccc(CCCC(=O)C(C)S(C)=O)c1- InChIKey
ANWWJMPGLXUJHX-UHFFFAOYSA-N- Molecular formula
- C14H20O3S
- Average molar mass
- 268.37 g/mol
- Monoisotopic mass
- 268.11331567
Names & identifiers
- Preferred name
- 2-(Methanesulfinyl)-6-(3-methoxyphenyl)hexan-3-one
- IUPAC
- 6-(3-methoxyphenyl)-2-methylsulfinylhexan-3-one
Names & synonyms
57816-03-2NSC3164632-(Methanesulfinyl)-6-(3-methoxyphenyl)hexan-3-oneDTXSID60317489NSC-316463
Database identifiers
- CAS
57816-03-2- PubChem CID
- 330169
- DTXSID
DTXSID60317489
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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