| CAS Number | 16613-81-3 |
| Catalog Number | AG01DGR6(AGN-PC-0WG3Y1) |
| Chemical Name | (1R,3S,5S)-6,6-dimethylbicyclo[3.1.0]hexan-3-ol |
| IUPAC Name | (1S,5R)-6,6-dimethylbicyclo[3.1.0]hexan-3-ol |
| InChI | InChI=1S/C8H14O/c1-8(2)6-3-5(9)4-7(6)8/h5-7,9H,3-4H2,1-2H3/t5?,6-,7+ |
| InChI Key | HUADUHNYPJBEBQ-DGUCWDHESA-N |
| MDL Number | MFCD28991754 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC1([C@H]2[C@@H]1C[C@@H](C2)O)C |
| Synonyms | (1R,3S,5S)-6,6-dimethylbicyclo[3.1.0]hexan-3-ol,
16613-81-3,
SCHEMBL2457993,
SCHEMBL2463978,
SCHEMBL17056959,
MFCD28991754,
ZINC144328166,
ZINC307059577,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number