| CAS Number | 2534-70-5 |
| Catalog Number | AG01C5IB(AGN-PC-0JPXZB) |
| Chemical Name | 2-Oxobicyclo[2.2.1]Heptane-1-Carboxylic Acid |
| IUPAC Name | 2-oxobicyclo[2.2.1]heptane-1-carboxylic acid |
| InChI | InChI=1S/C8H10O3/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5H,1-4H2,(H,10,11) |
| InChI Key | ZKMOOBXRINLMKZ-UHFFFAOYSA-N |
| MDL Number | MFCD11502459 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| NSC Number | 670148 |
| SMILES | O=C(O)C12C(CC(CC2)C1)=O |
| Synonyms | 2-Oxobicyclo[2.2.1]heptane-1-carboxylic acid,
NSC670148,
2534-70-5,
AC1L8JJS,
AC1Q5TCL,
SCHEMBL1286872,
CHEMBL1974503,
CTK7I6075,
2-oxonorbornane-1-carboxylic acid,
AKOS022635126,
NSC-670148,
NCI60_024607,
3-oxobicyclo[2.2.1]heptane-4-carboxylic acid,
CID382538,
2-Oxo-bicyclo[2.2.1]heptane-1-carboxylic acid,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.165g/mol |
| Monoisotopic Mass | 154.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number