| CAS Number | 1401425-80-6 |
| Catalog Number | AG01C4YT(AGN-PC-0WC9DX) |
| Chemical Name | 2-Azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid hydrochloride |
| IUPAC Name | 2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H11NO2.ClH/c10-8(11)6-3-5-1-2-7(6)9-4-5;/h1-2,5-7,9H,3-4H2,(H,10,11);1H |
| InChI Key | OCGLZOSLIUUWBQ-UHFFFAOYSA-N |
| MDL Number | MFCD22056565 |
| Molecular Formula | C8H12ClNO2 |
| Molecular Weight | 189.6394 |
| SMILES | Cl.OC(C1C2C=CC(CN2)C1)=O |
| Synonyms | 2-Azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid hydrochloride,
1401425-80-6,
AKOS030237409,
Z2418193644,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.639g/mol |
| Monoisotopic Mass | 189.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number