| CAS Number | 1969288-09-2 |
| Catalog Number | AG01B69R |
| Chemical Name | rac-(2R,3R)-2-(1-ethyl-1H-pyrazol-4-yl)oxolane-3-carbaldehyde, trans |
| IUPAC Name | (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbaldehyde |
| InChI | InChI=1S/C10H14N2O2/c1-2-12-6-9(5-11-12)10-8(7-13)3-4-14-10/h5-8,10H,2-4H2,1H3/t8-,10-/m0/s1 |
| InChI Key | RIDOSDPPBSIIHZ-WPRPVWTQSA-N |
| MDL Number | MFCD30181785 |
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.2304 |
| SMILES | O=C[C@@H]1CCO[C@H]1c1cnn(c1)CC |
| Synonyms | rac-(2R,3R)-2-(1-ethyl-1H-pyrazol-4-yl)oxolane-3-carbaldehyde, trans,
1969288-09-2,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.234g/mol |
| Monoisotopic Mass | 194.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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