| CAS Number | 942144-48-1 |
| Catalog Number | AG01FHH3(AGN-PC-3H4B08) |
| Chemical Name | (2R,4r,6S)-2,6-dimethyloxane-4-carboxylic acid |
| IUPAC Name | (2R,6S)-2,6-dimethyloxane-4-carboxylic acid |
| InChI | InChI=1S/C8H14O3/c1-5-3-7(8(9)10)4-6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10)/t5-,6+,7? |
| InChI Key | PMKAHDGEZAFUAW-MEKDEQNOSA-N |
| MDL Number | MFCD31567058 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | C[C@@H]1C[C@@H](C[C@@H](O1)C)C(=O)O |
| Synonyms | SCHEMBL3612750,
SCHEMBL3612752,
SCHEMBL8242040,
ZINC74342145,
AKOS023202129,
ZINC149574055,
ZINC238854914,
rac-(2R,4r,6S)-2,6-dimethyloxane-4-carboxylic acid,
942144-48-1,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number