| CAS Number | 1629256-07-0 |
| Catalog Number | AG01A702 |
| Chemical Name | 1-tert-Butyl-5-methoxy-3-methyl-1H-pyrazole |
| IUPAC Name | 1-tert-butyl-5-methoxy-3-methylpyrazole |
| InChI | InChI=1S/C9H16N2O/c1-7-6-8(12-5)11(10-7)9(2,3)4/h6H,1-5H3 |
| InChI Key | VDPAJGJTHFQGSS-UHFFFAOYSA-N |
| MDL Number | MFCD26407632 |
| Molecular Formula | C9H16N2O |
| Molecular Weight | 168.2361 |
| SMILES | COC1N(C(C)(C)C)N=C(C)C=1 |
| Synonyms | 1-tert-butyl-5-methoxy-3-methyl-1H-pyrazole,
1629256-07-0,
ZINC95829577,
AKOS033548627,
NE20904,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.24g/mol |
| Monoisotopic Mass | 168.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number