| CAS Number | 2008714-63-2 |
| Catalog Number | AG00J3F5(AGN-PC-0WRAVF) |
| Chemical Name | rac-(1R,2R,4R,5S)-5-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | (1R,2R,4R,5S)-5-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C7H10O4/c8-4-2-5-3(7(9)10)1-6(4)11-5/h3-6,8H,1-2H2,(H,9,10)/t3-,4+,5-,6-/m1/s1 |
| InChI Key | ZSPPPJZXXWMFOX-JGWLITMVSA-N |
| MDL Number | MFCD29924204 |
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.1519 |
| SMILES | [C@@H]1(C(O)=O)C[C@H]2O[C@@H]1C[C@@H]2O |
| Synonyms | 2008714-63-2,
(1R,2R,4R,5S)-5-Hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid,
ZINC426357421,
rac-(1R,2R,4R,5S)-5-Hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.057909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.15g/mol |
| Monoisotopic Mass | 158.057909g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number