1-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)ethanone - CAS 1782903-15-4
Catalog: |
BB051092 |
Product Name: |
1-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)ethanone |
CAS: |
1782903-15-4 |
Synonyms: |
Ethanone, 1-(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)-; 1-(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)ethan-1-one |
IUPAC Name: | 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone |
Molecular Weight: | 164.20 |
Molecular Formula: | C9H12N2O |
Canonical SMILES: | CC(=O)C1=NN(C(=C1)C2CC2)C |
InChI: | InChI=1S/C9H12N2O/c1-6(12)8-5-9(7-3-4-7)11(2)10-8/h5,7H,3-4H2,1-2H3 |
InChI Key: | MMASJHCQFADYJE-UHFFFAOYSA-N |
Boiling Point: | 301.8±30.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.24±0.1 g/cm3 (Predicted) |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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