| CAS Number | 42809-18-7 |
| Catalog Number | AG01C1BU |
| Chemical Name | 1-Cyclobutylbutan-1-one |
| IUPAC Name | 1-cyclobutylbutan-1-one |
| InChI | InChI=1S/C8H14O/c1-2-4-8(9)7-5-3-6-7/h7H,2-6H2,1H3 |
| InChI Key | JIZIPGBXEFEOCT-UHFFFAOYSA-N |
| MDL Number | MFCD21117517 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CCCC(C1CCC1)=O |
| Synonyms | 1-cyclobutylbutan-1-one,
42809-18-7,
Butyrylcyclobutane,
SCHEMBL8156241,
ZINC83120235,
AKOS014312728,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number