1-(1-Cyclopentyl-1H-pyrazol-3-yl)ethanone - CAS 1864541-58-1
Catalog: |
BB051096 |
Product Name: |
1-(1-Cyclopentyl-1H-pyrazol-3-yl)ethanone |
CAS: |
1864541-58-1 |
Synonyms: |
Ethanone, 1-(1-cyclopentyl-1H-pyrazol-3-yl)- |
IUPAC Name: | 1-(1-cyclopentylpyrazol-3-yl)ethanone |
Molecular Weight: | 178.23 |
Molecular Formula: | C10H14N2O |
Canonical SMILES: | CC(=O)C1=NN(C=C1)C2CCCC2 |
InChI: | InChI=1S/C10H14N2O/c1-8(13)10-6-7-12(11-10)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3 |
InChI Key: | AMVQLFSVKJZKID-UHFFFAOYSA-N |
Boiling Point: | 311.1±15.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.20±0.1 g/cm3 (Predicted) |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.110613074 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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