Cyclobutanecarboxylic acid, 1-((4-methylphenyl)sulfonyl)-, ethyl ester
Basic information
- CAS
160790-14-7- Standard SMILES
CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1- InChIKey
CTCKUDTVPBDAHJ-UHFFFAOYSA-N- Molecular formula
- C14H18O4S
- Average molar mass
- 282.36 g/mol
- Monoisotopic mass
- 282.09258022
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 1-((4-methylphenyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 1-(4-methylphenyl)sulfonylcyclobutane-1-carboxylate
Names & synonyms
160790-14-7Cyclobutanecarboxylic acid, 1-((4-methylphenyl)sulfonyl)-, ethyl esterDTXSID40167000Ethyl 1-(4-methylbenzene-1-sulfonyl)cyclobutane-1-carboxylate
Database identifiers
- CAS
160790-14-7- PubChem CID
- 93549
- DTXSID
DTXSID40167000- Nikkaji
- J667.569G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
LogP2.31
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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