| CAS Number | 1695002-73-3 |
| Catalog Number | AG01C38Q |
| Chemical Name | 1-(2,2-dimethylcyclopropyl)butan-1-one |
| IUPAC Name | 1-(2,2-dimethylcyclopropyl)butan-1-one |
| InChI | InChI=1S/C9H16O/c1-4-5-8(10)7-6-9(7,2)3/h7H,4-6H2,1-3H3 |
| InChI Key | DEXFTOZMPWWWDE-UHFFFAOYSA-N |
| MDL Number | MFCD29060367 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | CCCC(C1C(C)(C)C1)=O |
| Synonyms | 1-(2,2-dimethylcyclopropyl)butan-1-one,
1695002-73-3,
AKOS033866515,
Z2327884040,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.226g/mol |
| Monoisotopic Mass | 140.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number