| CAS Number | 4505-16-2 |
| Catalog Number | AG00DK2R(AGN-PC-0WR1P6) |
| Chemical Name | methyl diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylate hydrochloride |
| IUPAC Name | methyl (1R,2S,3R,4S)-3-amino-7-oxabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H13NO3.ClH/c1-11-8(10)6-4-2-3-5(12-4)7(6)9;/h4-7H,2-3,9H2,1H3;1H/t4-,5+,6-,7+;/m1./s1 |
| InChI Key | LAFLJVAOWPFONY-VSLZZJKVSA-N |
| MDL Number | MFCD09997948 |
| Molecular Formula | C8H14ClNO3 |
| Molecular Weight | 207.6547 |
| SMILES | COC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H]1N)O2.Cl |
| Synonyms | methyl diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylate hydrochloride,
4505-16-2,
MFCD09997948,
T6537,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.654g/mol |
| Monoisotopic Mass | 207.066g/mol |
| Rotatable Bond Count | 2 |
| 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