| CAS Number | 13855-29-3 |
| Catalog Number | AG0019F4(AGN-PC-000L0E) |
| Chemical Name | (1R,5S)-6,6-Dimethylbicyclo[3.1.0]hexan-3-one |
| IUPAC Name | 6,6-dimethylbicyclo[3.1.0]hexan-3-one |
| InChI | InChI=1S/C8H12O/c1-8(2)6-3-5(9)4-7(6)8/h6-7H,3-4H2,1-2H3 |
| InChI Key | WECIOCZLOBJQBE-UHFFFAOYSA-N |
| MDL Number | MFCD28991738 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | CC1(C2C1CC(C2)=O)C |
| Synonyms | Bicyclo[3.1.0]hexan-3-one, 6,6-dimethyl-,
13855-29-3,
6,6-Dimethylbicyclo[3.1.0]hexan-3-one,
SCHEMBL17048771,
CTK0F3039,
DTXSID50556406,
AKOS023400574,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.183g/mol |
| Monoisotopic Mass | 124.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number