Isoxazole-5-methanol - CAS 98019-60-4
Catalog: |
BB042088 |
Product Name: |
Isoxazole-5-methanol |
CAS: |
98019-60-4 |
Synonyms: |
5-isoxazolylmethanol; 1,2-oxazol-5-ylmethanol |
IUPAC Name: | 1,2-oxazol-5-ylmethanol |
Description: | Isoxazole-5-methanol (CAS# 98019-60-4) is a useful research chemical compound. |
Molecular Weight: | 99.09 |
Molecular Formula: | C4H5NO2 |
Canonical SMILES: | C1=C(ON=C1)CO |
InChI: | InChI=1S/C4H5NO2/c6-3-4-1-2-5-7-4/h1-2,6H,3H2 |
InChI Key: | QOOSRUMHBCVQFK-UHFFFAOYSA-N |
Density: | 1.25 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.16690 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112142743-A | Heterocyclic compound, preparation method and application thereof in medicine and pharmacology | 20190628 |
WO-2020259584-A1 | Heterocyclic compounds for mediating tyrosine kinase 2 activity | 20190628 |
CN-107344936-A | Triazole pyridazine analog derivative, its preparation method, pharmaceutical composition and purposes | 20160506 |
CN-107344938-A | Pyrazoles-triazine derivative, its preparation method, pharmaceutical composition and purposes | 20160506 |
CN-109071546-A | Pyrazolo [1,5-A] pyrazine -4- radical derivative as JAK inhibitor | 20160224 |
Complexity: | 57.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 99.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 99.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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