2-(Oxiranylmethoxy)-benzeneethanol - CAS 160951-57-5
Catalog: |
BB058517 |
Product Name: |
2-(Oxiranylmethoxy)-benzeneethanol |
CAS: |
160951-57-5 |
Synonyms: |
2-((2-(2-Methoxyethyl)phenoxy)methyl)oxirane |
IUPAC Name: | 2-[2-(oxiran-2-ylmethoxy)phenyl]ethanol |
Description: | 2-(Oxiranylmethoxy)-benzeneethanol is an intermediate in the synthesis of ortho-Metoprolol (M338800), a new byproduct detected in Metoprolol tartrate (M338790). |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | C1C(O1)COC2=CC=CC=C2CCO |
InChI: | InChI=1S/C11H14O3/c12-6-5-9-3-1-2-4-11(9)14-8-10-7-13-10/h1-4,10,12H,5-8H2 |
InChI Key: | QNDZOBZHSUMVSM-UHFFFAOYSA-N |
Appearance: | Liquid |
References: | Erickson, M., et al. J. Pharma. Biomed. Anal., 13, 567 (1995),. |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 42Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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