5-(Hydroxymethyl)-3-(o-tolyl)isoxazole - CAS 885273-56-3
Catalog: |
BB038928 |
Product Name: |
5-(Hydroxymethyl)-3-(o-tolyl)isoxazole |
CAS: |
885273-56-3 |
Synonyms: |
[3-(2-methylphenyl)-5-isoxazolyl]methanol; [3-(2-methylphenyl)-1,2-oxazol-5-yl]methanol |
IUPAC Name: | [3-(2-methylphenyl)-1,2-oxazol-5-yl]methanol |
Description: | 5-(Hydroxymethyl)-3-(o-tolyl)isoxazole (CAS# 885273-56-3) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=CC=CC=C1C2=NOC(=C2)CO |
InChI: | InChI=1S/C11H11NO2/c1-8-4-2-3-5-10(8)11-6-9(7-13)14-12-11/h2-6,13H,7H2,1H3 |
InChI Key: | BQNUCDAEKSZWEE-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD06738508 |
LogP: | 2.14230 |
Publication Number | Title | Priority Date |
WO-9815541-A1 | Novel isoxazol derivatives, pharmaceutical compositions containing the same, and a process for the preparation of the novel compounds | 19961009 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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