(4-Methyl-1H-pyrazol-3-yl)methanol - CAS 1196041-64-1
Catalog: |
BB050910 |
Product Name: |
(4-Methyl-1H-pyrazol-3-yl)methanol |
CAS: |
1196041-64-1 |
Synonyms: |
(4-Methyl-2H-pyrazol-3-yl)-methanol; 1H-Pyrazole-3-methanol, 4-methyl- |
IUPAC Name: | (4-methyl-1H-pyrazol-5-yl)methanol |
Molecular Weight: | 112.13 |
Molecular Formula: | C5H8N2O |
Canonical SMILES: | CC1=C(NN=C1)CO |
InChI: | InChI=1S/C5H8N2O/c1-4-2-6-7-5(4)3-8/h2,8H,3H2,1H3,(H,6,7) |
InChI Key: | QIQGLPRCMHFDEO-UHFFFAOYSA-N |
Boiling Point: | 326.9±27.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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