1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)butan-1-one - CAS 1174872-37-7
Catalog: |
BB053125 |
Product Name: |
1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)butan-1-one |
CAS: |
1174872-37-7 |
Synonyms: |
1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)butan-1-one |
IUPAC Name: | 1-(1-ethyl-3-methylpyrazol-4-yl)butan-1-one |
Molecular Weight: | 180.25 |
Molecular Formula: | C10H16N2O |
Canonical SMILES: | CCCC(=O)C1=CN(N=C1C)CC |
InChI: | InChI=1S/C10H16N2O/c1-4-6-10(13)9-7-12(5-2)11-8(9)3/h7H,4-6H2,1-3H3 |
InChI Key: | UCYWAIWPOZWIMH-UHFFFAOYSA-N |
Boiling Point: | 281.0±20.0 °C at 760 mmHg |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.126263138 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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