1-(1-Ethyl-5-Methyl-1H-Pyrazol-4-Yl)Propan-1-Ol - CAS 1007504-69-9
Catalog: |
BB053097 |
Product Name: |
1-(1-Ethyl-5-Methyl-1H-Pyrazol-4-Yl)Propan-1-Ol |
CAS: |
1007504-69-9 |
Synonyms: |
1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)propan-1-ol |
IUPAC Name: | 1-(1-ethyl-5-methylpyrazol-4-yl)propan-1-ol |
Molecular Weight: | 168.24 |
Molecular Formula: | C9H16N2O |
Canonical SMILES: | CCC(C1=C(N(N=C1)CC)C)O |
InChI: | InChI=1S/C9H16N2O/c1-4-9(12)8-6-10-11(5-2)7(8)3/h6,9,12H,4-5H2,1-3H3 |
InChI Key: | YPPZJCZWYCAIJE-UHFFFAOYSA-N |
Boiling Point: | 280.4±25.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.126263138 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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