| CAS Number | 1807941-54-3 |
| Catalog Number | AG01BA5R |
| Chemical Name | rac-(1R,5S)-bicyclo[3.1.0]hexan-2-one |
| IUPAC Name | (1S,5R)-bicyclo[3.1.0]hexan-2-one |
| InChI | InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m1/s1 |
| InChI Key | HFCMQKFXCMZZMZ-UHNVWZDZSA-N |
| MDL Number | MFCD20040019 |
| Molecular Formula | C6H8O |
| Molecular Weight | 96.1271 |
| SMILES | O=C1[C@@H]2[C@@H](C2)CC1 |
| Synonyms | (1S,5R)-bicyclo[3.1.0]hexan-2-one,
196488-92-3,
Bicyclo[3.1.0]hexan-2-one, (1S,5R)-,
CTK0A0398,
DTXSID40449070,
HFCMQKFXCMZZMZ-UHNVWZDZSA-N,
ZINC32214675,
2beta,3beta-Methano-1-cyclopentanone,
CS-0055792,
1807941-54-3,
Bicyclo[3.1.0]hexan-2-one,
CID10942347,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 96.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 96.129g/mol |
| Monoisotopic Mass | 96.058g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number