1-(3-Methyl-1H-pyrazol-1-yl)acetone - CAS 925200-30-2
Catalog: |
BB049479 |
Product Name: |
1-(3-Methyl-1H-pyrazol-1-yl)acetone |
CAS: |
925200-30-2 |
Synonyms: |
1-(3-methyl-1H-pyrazol-1-yl)propan-2-one; 1-(3-methylpyrazolyl)acetone; 1-(3-Methyl-pyrazol-1-yl)-propan-2-one |
IUPAC Name: | 1-(3-methylpyrazol-1-yl)propan-2-one |
Description: | 1-(3-Methyl-1H-pyrazol-1-yl)acetone (CAS# 925200-30-2 ) is a useful research chemical. |
Molecular Weight: | 138.17 |
Molecular Formula: | C7H10N2O |
Canonical SMILES: | CC1=NN(C=C1)CC(=O)C |
InChI: | InChI=1S/C7H10N2O/c1-6-3-4-9(8-6)5-7(2)10/h3-4H,5H2,1-2H3 |
InChI Key: | XDMSPPHMAZVVAT-UHFFFAOYSA-N |
Boiling Point: | 228.0±23.0 °C (Predicted) |
Density: | 1.08±0.1 g/cm3(Predicted) |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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