| CAS Number | 32314-56-0 |
| Catalog Number | AG019Z42(AGN-PC-00MR9L) |
| Chemical Name | 3-(Propan-2-yl)cyclobutan-1-one |
| IUPAC Name | 3-propan-2-ylcyclobutan-1-one |
| InChI | InChI=1S/C7H12O/c1-5(2)6-3-7(8)4-6/h5-6H,3-4H2,1-2H3 |
| InChI Key | WBCYESOPLZSTIQ-UHFFFAOYSA-N |
| MDL Number | MFCD23826568 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | CC(C1CC(=O)C1)C |
| Synonyms | 3-(propan-2-yl)cyclobutan-1-one,
32314-56-0,
3-Isopropylcyclobutanone,
3-isopropyl-cyclobutanone,
SCHEMBL1089769,
WBCYESOPLZSTIQ-UHFFFAOYSA-N,
ZINC84325472,
AKOS018621244,
NE18705,
|
| Complexity | 97 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.172g/mol |
| Monoisotopic Mass | 112.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number