| CAS Number | 1174307-24-4 |
| Catalog Number | AG01DV0Z |
| Chemical Name | 5-(benzyloxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1,3-dimethyl-5-phenylmethoxypyrazole-4-carbaldehyde |
| InChI | InChI=1S/C13H14N2O2/c1-10-12(8-16)13(15(2)14-10)17-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
| InChI Key | BHLPTJOOSXVWMX-UHFFFAOYSA-N |
| MDL Number | MFCD10692114 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | CC1C(C=O)=C(OCC2=CC=CC=C2)N(C)N=1 |
| Synonyms | AKOS023093421,
5-(benzyloxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde,
1174307-24-4,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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