[3-(4-Methoxyphenyl)-5-isoxazolyl]methanol - CAS 206055-86-9
Catalog: |
BB053544 |
Product Name: |
[3-(4-Methoxyphenyl)-5-isoxazolyl]methanol |
CAS: |
206055-86-9 |
Synonyms: |
[3-(4-METHOXYPHENYL)-5-ISOXAZOLYL]METHANOL; [3-(4-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHANOL; (3-(4-methoxyphenyl)isoxazol-5; Methoxyphenylisoxazolylmethanol; [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol; 5-(Hydroxymethyl)-3-(4-methoxyphenyl)isoxazole |
IUPAC Name: | [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol |
Molecular Weight: | 237.18 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=NOC(=C2)CO |
InChI: | InChI=1S/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3 |
InChI Key: | SROFDUACOHNMJB-UHFFFAOYSA-N |
Boiling Point: | 396.1±37.0 °C at 760 mmHg |
Melting Point: | 97-98°C |
Purity: | 95% |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Powder |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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