| CAS Number | 1212145-02-2 |
| Catalog Number | AG009W2C(AGN-PC-0WR1UD) |
| Chemical Name | diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride |
| IUPAC Name | ethyl (1R,2S,3R,4S)-3-amino-7-oxabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C9H15NO3.ClH/c1-2-12-9(11)7-5-3-4-6(13-5)8(7)10;/h5-8H,2-4,10H2,1H3;1H/t5-,6+,7-,8+;/m1./s1 |
| InChI Key | AOQQPBDWIFYSRA-ICDZOTBQSA-N |
| MDL Number | MFCD11870780 |
| Molecular Formula | C9H16ClNO3 |
| Molecular Weight | 221.6812 |
| SMILES | CCOC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H]1N)O2.Cl |
| Synonyms | 1212145-02-2,
diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride,
MFCD11870780,
T6308,
AOQQPBDWIFYSRA-ICDZOTBQSA-N,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.681g/mol |
| Monoisotopic Mass | 221.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number