| CAS Number | 617690-22-9 |
| Catalog Number | AG01AUPF |
| Chemical Name | rac-(2R,3S)-3-methyloxolane-2-carboxylic acid |
| IUPAC Name | (2R,3R)-3-methyloxolane-2-carboxylic acid |
| InChI | InChI=1S/C6H10O3/c1-4-2-3-9-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m1/s1 |
| InChI Key | IUCKHYBYONQBJH-RFZPGFLSSA-N |
| MDL Number | MFCD28145190 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | C[C@H]1[C@@H](C(O)=O)OCC1 |
| Synonyms | ZINC59819768,
rac-(2R,3S)-3-methyloxolane-2-carboxylic acid, cis,
617690-22-9,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.143g/mol |
| Monoisotopic Mass | 130.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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