| CAS Number | 20845-95-8 |
| Catalog Number | AG01B4V1(AGN-PC-00LM0Q) |
| Chemical Name | 1-Cyclopropyl-2,2-dimethylpropan-1-one |
| IUPAC Name | 1-cyclopropyl-2,2-dimethylpropan-1-one |
| InChI | InChI=1S/C8H14O/c1-8(2,3)7(9)6-4-5-6/h6H,4-5H2,1-3H3 |
| InChI Key | AWQUMGUAPWNEFT-UHFFFAOYSA-N |
| MDL Number | MFCD16748760 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC(C(C1CC1)=O)(C)C |
| Synonyms | 1-cyclopropyl-2,2-dimethylpropan-1-one,
20845-95-8,
t-butyl cyclopropyl ketone,
SCHEMBL6140852,
MFCD16748760,
ZINC39428987,
AKOS011682868,
F8885-7498,
|
| Complexity | 126 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number