| CAS Number | 1820583-70-7 |
| Catalog Number | AG00J2AP(AGN-PC-0WRAO0) |
| Chemical Name | rac-(3aR,5R,6S,7aS)-octahydro-1H-isoindole-5,6-diol hydrochloride |
| IUPAC Name | (3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-5,6-diol;hydrochloride |
| InChI | InChI=1S/C8H15NO2.ClH/c10-7-1-5-3-9-4-6(5)2-8(7)11;/h5-11H,1-4H2;1H/t5-,6+,7+,8-; |
| InChI Key | NINXDDYEJBPMCT-WTSYXZODSA-N |
| MDL Number | MFCD28024701 |
| Molecular Formula | C8H16ClNO2 |
| Molecular Weight | 193.6711 |
| SMILES | C1[C@@H]2CNC[C@@H]2C[C@@H](O)[C@H]1O.Cl |
| Synonyms | rac-(3aR,5R,6S,7aS)-Octahydro-1H-isoindole-5,6-diol hydrochloride,
1820583-70-7,
MFCD28024701,
AKOS030631063,
(3AR,5R,6S,7AS)-OCTAHYDRO-1H-ISOINDOLE-5,6-DIOL HYDROCHLORIDE,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.671g/mol |
| Monoisotopic Mass | 193.087g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number