Cyclopentanone, 3-[(4-methoxyphenyl)sulfonyl]-2-methyl-
Basic information
- CAS
1378807-69-2- Standard SMILES
COc1ccc(S(=O)(=O)C2CCC(=O)C2C)cc1- InChIKey
FORRBARGWNCVFM-UHFFFAOYSA-N- Molecular formula
- C13H16O4S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.07693016
Names & identifiers
- Preferred name
- Cyclopentanone, 3-[(4-methoxyphenyl)sulfonyl]-2-methyl-
- IUPAC
- 3-(4-methoxyphenyl)sulfonyl-2-methylcyclopentan-1-one
Names & synonyms
DTXSID701207119AKOS014237065Cyclopentanone, 3-[(4-methoxyphenyl)sulfonyl]-2-methyl-3-(4-Methoxybenzene-1-sulfonyl)-2-methylcyclopentan-1-one1378807-69-2
Database identifiers
- CAS
1378807-69-2- PubChem CID
- 64907214
- DTXSID
DTXSID701207119
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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