| CAS Number | 363191-14-4 |
| Catalog Number | AG007A51(AGN-PC-0WBQ85) |
| Chemical Name | 1,4-Diazabicyclo[2.2.2]octane-2-carboxylic acid |
| IUPAC Name | 1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid |
| InChI | InChI=1S/C7H12N2O2/c10-7(11)6-5-8-1-3-9(6)4-2-8/h6H,1-5H2,(H,10,11) |
| InChI Key | IUCABINPROMHPV-UHFFFAOYSA-N |
| MDL Number | MFCD16990477 |
| Molecular Formula | C7H12N2O2 |
| Molecular Weight | 156.1824 |
| SMILES | OC(C1N2CCN(CC2)C1)=O |
| Synonyms | 1,4-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID,
363191-14-4,
SCHEMBL3018116,
CTK4H6296,
DTXSID20498824,
AKOS022715697,
W-4715,
1,4-Diazabicyclo[2.2.2]octane-2-carboxylicacid(9CI),
F2147-1413,
1,4-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLICACID,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.185g/mol |
| Monoisotopic Mass | 156.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number