| CAS Number | 1204809-89-1 |
| Catalog Number | AG00810J(AGN-PC-0JEJAL) |
| Chemical Name | 8-Azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester |
| IUPAC Name | 8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate |
| InChI | InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h6,9-10H,4-5,7H2,1-3H3,(H,15,16)/p-1 |
| InChI Key | FDEKZKWYTOTCTN-UHFFFAOYSA-M |
| MDL Number | MFCD28401069 |
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.2943 |
| SMILES | O=C(C1=CC(N2C(OC(C)(C)C)=O)CCC2C1)O |
| Synonyms | 1204809-89-1,
8-Azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester,
8-Aza-bicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid 8-tert-butyl ester,
8-Azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid,8-(1,1-dimethylethyl) ester,
CTK8D3729,
DTXSID90849405,
TC-071579,
8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate,
|
| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.124g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.29g/mol |
| Monoisotopic Mass | 252.124g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number