4-(4-Acetyl-2-methoxyphenoxy)-butanoic Acid Ethyl Ester - CAS 174884-21-0
Catalog: |
BB075442 |
Product Name: |
4-(4-Acetyl-2-methoxyphenoxy)-butanoic Acid Ethyl Ester |
CAS: |
174884-21-0 |
Synonyms: |
4-(4-Acetyl-2-methoxyphenoxy)-butanoic Acid Ethyl Ester; ETHYL 4-(4-ACETYL-2-METHOXYPHENOXY)BUTANOATE |
IUPAC Name: | ethyl 4-(4-acetyl-2-methoxyphenoxy)butanoate |
Description: | A photolabile linker for the solid-phase synthesis of 4-substituted 1,2,3-triazoles. |
Molecular Weight: | 280.32 |
Molecular Formula: | C15H20O5 |
Canonical SMILES: | CCOC(=O)CCCOC1=C(C=C(C=C1)C(=O)C)OC |
InChI: | InChI=1S/C15H20O5/c1-4-19-15(17)6-5-9-20-13-8-7-12(11(2)16)10-14(13)18-3/h7-8,10H,4-6,9H2,1-3H3 |
InChI Key: | MKKVQFXWAOWFAQ-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Dimethyl Formamide |
Appearance: | White Solid |
References: | Qvortrup, K. et al.; Chem. Commun. 47, 3278 (2011). |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.13107373 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.13107373 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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