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Basic information
- CAS
66016-18-0- Standard SMILES
CCCCC1CC(C(=O)O)C1- InChIKey
SBOOJIXNMWZCGM-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 3-butyl-
- IUPAC
- 3-butylcyclobutane-1-carboxylic acid
- English name
- 3-Butylcyclobutanecarboxylic acid
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
66016-18-03-Butyl-cyclobutanecarboxylic acidCYCLOBUTANECARBOXYLIC ACID, 3-BUTYL-BRN 2435612DTXSID40216224RefChem:334928DTXCID401387153-butylcyclobutane-1-carboxylic acid3-Butylcyclobutanecarboxylic acidSCHEMBL8774016SCHEMBL17610100AKOS023362295
Database identifiers
- CAS
66016-18-0- PubChem CID
- 47798
- DTXSID
DTXSID40216224- Nikkaji
- J57.854A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 248.3 · 248.3±8.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 4.81 · 4.81±0.40(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
1 records
Compound notes
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