| CAS Number | 1340410-90-3 |
| Catalog Number | AG01B2GN |
| Chemical Name | 3-(1-methyl-1H-pyrazol-5-yl)cyclopentan-1-one |
| IUPAC Name | 3-(2-methylpyrazol-3-yl)cyclopentan-1-one |
| InChI | InChI=1S/C9H12N2O/c1-11-9(4-5-10-11)7-2-3-8(12)6-7/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | CHLJFPQWWZRSPD-UHFFFAOYSA-N |
| MDL Number | MFCD20336689 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | CN1C(C2CC(=O)CC2)=CC=N1 |
| Synonyms | 3-(1-methyl-1H-pyrazol-5-yl)cyclopentan-1-one,
1340410-90-3,
AKOS013846612,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.208g/mol |
| Monoisotopic Mass | 164.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number