| CAS Number | 1152509-69-7 |
| Catalog Number | AG01A41V(AGN-PC-0WOCNZ) |
| Chemical Name | 3-tert-Butyl-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-tert-butyl-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C9H14N2O/c1-9(2,3)8-7(6-12)5-11(4)10-8/h5-6H,1-4H3 |
| InChI Key | IHTGHZQFXRJZBV-UHFFFAOYSA-N |
| MDL Number | MFCD11180144 |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.2203 |
| SMILES | CN1N=C(C(C)(C)C)C(C=O)=C1 |
| Synonyms | 3-tert-butyl-1-methyl-1H-pyrazole-4-carbaldehyde,
1152509-69-7,
SCHEMBL19580164,
ZINC36894386,
AKOS009306411,
NE25273,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.224g/mol |
| Monoisotopic Mass | 166.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number