(S)-2-[[[4-Methoxybenzyl)oxy)methyl)oxirane - CAS 144069-33-0
Catalog: |
BB063728 |
Product Name: |
(S)-2-[[[4-Methoxybenzyl)oxy)methyl)oxirane |
CAS: |
144069-33-0 |
Synonyms: |
(2S)-2-[[(4-Methoxyphenyl)methoxy]methyl]oxirane;(S)-Glycidyl p-Methoxybenzyl Ether;(S)-p-Methoxybenzyl Glycidyl Ether |
IUPAC Name: | (2S)-2-[(4-methoxyphenyl)methoxymethyl]oxirane |
Description: | (S)-2-[[[4-Methoxybenzyl)oxy)methyl)oxirane is an intermediate in the synthesis of (S)-Isotimolol (I918000), an isomer of the antiarrhythmic, antiglaucoma agent Timolol (T443700). |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | COC1=CC=C(C=C1)COCC2CO2 |
InChI: | InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3/t11-/m1/s1 |
InChI Key: | QWWVSLBMMUDNTB-LLVKDONJSA-N |
References: | Marini, R.D. et al. Anal. Chim. Acta, 531, 131 (2005). |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 31Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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