| CAS Number | 2059908-50-6 |
| Catalog Number | AG01BR2F |
| Chemical Name | rac-(3aR,6aS)-hexahydro-2H-cyclopenta[b]furan-3a-carboxylic acid, cis |
| IUPAC Name | (3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylic acid |
| InChI | InChI=1S/C8H12O3/c9-7(10)8-3-1-2-6(8)11-5-4-8/h6H,1-5H2,(H,9,10)/t6-,8-/m0/s1 |
| InChI Key | XVWIHKFHKZHQTM-XPUUQOCRSA-N |
| MDL Number | MFCD30530216 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | OC(=O)[C@@]12CCC[C@H]2OCC1 |
| Synonyms | 2059908-50-6,
ZINC84235053,
Rac-(3aR,6aS)-hexahydro-2H-cyclopenta[b]furan-3a-carboxylic acid,
rac-(3aR,6aS)-hexahydro-2H-cyclopenta[b]furan-3a-carboxylic acid, cis,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number