| CAS Number | 1779825-53-4 |
| Catalog Number | AG01C2P4 |
| Chemical Name | 1-(Oxan-4-yl)-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 2-(oxan-4-yl)pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C9H12N2O2/c12-7-9-1-4-10-11(9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2 |
| InChI Key | WXSYTSCDKVCKGW-UHFFFAOYSA-N |
| MDL Number | MFCD30344807 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | O=CC1N(C2CCOCC2)N=CC=1 |
| Synonyms | 1-(oxan-4-yl)-1H-pyrazole-5-carbaldehyde,
1779825-53-4,
ZINC221289522,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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