Cyclobutanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
Basic information
- CAS
160790-17-0- Standard SMILES
COC(=O)C1(S(=O)(=O)c2ccccc2)CCC1- InChIKey
ACFDLHBDXXPXBY-UHFFFAOYSA-N- Molecular formula
- C12H14O4S
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.0612801
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
- IUPAC
- methyl 1-(benzenesulfonyl)cyclobutane-1-carboxylate
Names & synonyms
Cyclobutanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester160790-17-0methyl 1-(benzenesulfonyl)cyclobutane-1-carboxylateDTXSID20167003
Database identifiers
- CAS
160790-17-0- PubChem CID
- 93582
- DTXSID
DTXSID20167003- Nikkaji
- J667.570K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
LogP1.63
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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