| CAS Number | 1251324-39-6 |
| Catalog Number | AG01B5II |
| Chemical Name | 2-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-one |
| IUPAC Name | 2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-one |
| InChI | InChI=1S/C10H14N2O/c1-12-7-8(6-11-12)5-9-3-2-4-10(9)13/h6-7,9H,2-5H2,1H3 |
| InChI Key | CWVHSFMUOWVVRX-UHFFFAOYSA-N |
| MDL Number | MFCD16685672 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | CN1N=CC(CC2C(=O)CCC2)=C1 |
| Synonyms | 2-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-one,
1251324-39-6,
AKOS011406677,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.235g/mol |
| Monoisotopic Mass | 178.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number