Basic information
- CAS
66016-22-6- Standard SMILES
O=C(O)C1CC(C2CCCCCC2)C1- InChIKey
YYUXOFUWSOGMGC-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 3-cycloheptyl-
- IUPAC
- 3-cycloheptylcyclobutane-1-carboxylic acid
- English name
- 3-Cycloheptylcyclobutanecarboxylic acid
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
3-Cycloheptyl-cyclobutanecarboxylic acidCYCLOBUTANECARBOXYLIC ACID, 3-CYCLOHEPTYL-BRN 244442666016-22-6DTXSID80216228RefChem:129396DTXCID801387193-cycloheptylcyclobutane-1-carboxylic acid3-Cycloheptylcyclobutanecarboxylic acid
Database identifiers
- CAS
66016-22-6- PubChem CID
- 47802
- DTXSID
DTXSID80216228- Nikkaji
- J57.856H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 319.6 · 319.6±10.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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