| CAS Number | 14252-05-2 |
| Catalog Number | AG007L3H(AGN-PC-093QXC) |
| Chemical Name | bicyclo[3.2.1]octan-3-one |
| IUPAC Name | bicyclo[3.2.1]octan-3-one |
| InChI | InChI=1S/C8H12O/c9-8-4-6-1-2-7(3-6)5-8/h6-7H,1-5H2 |
| InChI Key | HIMMOVPGAJKVOS-UHFFFAOYSA-N |
| MDL Number | MFCD19300751 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | O=C1CC(C2)CCC2C1 |
| Synonyms | Bicyclo[3.2.1]octan-3-one,
14252-05-2,
3-Bicyclo[3.2.1]octanone,
Bicyclo(3.2.1)octan-3-one,
HIMMOVPGAJKVOS-UHFFFAOYSA-N,
AC1L3FFJ,
SCHEMBL2611974,
bicyclo-[3.2.1]octan-3-one,
CTK0H7838,
KS-000004DC,
MFCD19300751,
BICYCLO[3,2,1]OCTANE-3-ONE,
SB11407,
AK165360,
AS-33958,
CS-0049779,
CID139709,
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| Complexity | 126 |
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number