| CAS Number | 343963-51-9 |
| Catalog Number | AG00I6SP(AGN-PC-0WCL4P) |
| Chemical Name | endo-8-oxabicyclo[3.2.1]octan-3-ol |
| IUPAC Name | (1S,5R)-8-oxabicyclo[3.2.1]octan-3-ol |
| InChI | InChI=1S/C7H12O2/c8-5-3-6-1-2-7(4-5)9-6/h5-8H,1-4H2/t5?,6-,7+ |
| InChI Key | CSGTZGMKSPXFEQ-DGUCWDHESA-N |
| MDL Number | MFCD28501246 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | O[C@@H]1C[C@]2(O[C@](CC2)(C1)[H])[H] |
| Synonyms | exo-8-Oxabicyclo[3.2.1]octan-3-ol,
endo-8-Oxabicyclo[3.2.1]octan-3-ol,
160813-27-4,
343963-51-9,
SCHEMBL14169731,
MFCD28501247,
ZINC45070467,
AKOS025396185,
ZINC238790034,
ZINC238790035,
SB11864,
SB11865,
AS-53209,
AS-53224,
CS-0049350,
CS-0049589,
(1R,5S)-8-Oxabicyclo[3.2.1]octane-3alpha-ol,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number