1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanol - CAS 1007462-91-0
Catalog: |
BB053095 |
Product Name: |
1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanol |
CAS: |
1007462-91-0 |
Synonyms: |
1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)ethan-1-ol; 1-(1-ethyl-5-methylpyrazol-4-yl)ethan-1-ol |
IUPAC Name: | 1-(1-ethyl-5-methylpyrazol-4-yl)ethanol |
Molecular Weight: | 154.21 |
Molecular Formula: | C8H14N2O |
Canonical SMILES: | CCN1C(=C(C=N1)C(C)O)C |
InChI: | InChI=1S/C8H14N2O/c1-4-10-6(2)8(5-9-10)7(3)11/h5,7,11H,4H2,1-3H3 |
InChI Key: | VQNLWGKUCODXHS-UHFFFAOYSA-N |
Boiling Point: | 264.3±25.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.110613074 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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