(1-Ethyl-4-methyl-1H-pyrazol-5-yl)methanol - CAS 1855889-22-3
Catalog: |
BB051487 |
Product Name: |
(1-Ethyl-4-methyl-1H-pyrazol-5-yl)methanol |
CAS: |
1855889-22-3 |
Synonyms: |
1H-Pyrazole-5-methanol, 1-ethyl-4-methyl-; (2-Ethyl-4-methyl-2H-pyrazol-3-yl)-methanol |
IUPAC Name: | (2-ethyl-4-methylpyrazol-3-yl)methanol |
Molecular Weight: | 140.18 |
Molecular Formula: | C7H12N2O |
Canonical SMILES: | CCN1C(=C(C=N1)C)CO |
InChI: | InChI=1S/C7H12N2O/c1-3-9-7(5-10)6(2)4-8-9/h4,10H,3,5H2,1-2H3 |
InChI Key: | VQHKGOWSJNRTBP-UHFFFAOYSA-N |
Boiling Point: | 269.4±25.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.09±0.1 g/cm3 (Predicted) |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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