| CAS Number | 340164-19-4 |
| Catalog Number | AG01AHM9(AGN-PC-0WO24M) |
| Chemical Name | exo-8-oxobicyclo[3.2.1]octane-3-carboxylic acid |
| IUPAC Name | 8-oxobicyclo[3.2.1]octane-3-carboxylic acid |
| InChI | InChI=1S/C9H12O3/c10-8-5-1-2-6(8)4-7(3-5)9(11)12/h5-7H,1-4H2,(H,11,12) |
| InChI Key | RSGYKULVFGGLSM-UHFFFAOYSA-N |
| MDL Number | MFCD09837131 |
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.1898 |
| SMILES | OC(=O)C1CC2CCC(C1)C2=O |
| Synonyms | 8-oxobicyclo[3.2.1]octane-3-carboxylic acid,
340164-19-4,
endo-8-oxobicyclo[3.2.1]octane-3-carboxylic acid,
SCHEMBL3212519,
AKOS000319937,
NE48277,
exo-8-oxobicyclo[3.2.1]octane-3-carboxylic acid,
N/A,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.192g/mol |
| Monoisotopic Mass | 168.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number