(αR)-Acetyloxybenzenebutanoic Acid Methyl Ester - CAS 138276-23-0
Catalog: |
BB061219 |
Product Name: |
(αR)-Acetyloxybenzenebutanoic Acid Methyl Ester |
CAS: |
138276-23-0 |
Synonyms: |
methyl 2-acetyloxy-4-phenylbutanoate; 2-Acetoxy-4-phenylbutanoic acid methyl ester; (alphaR)-Acetyloxybenzenebutanoic Acid Methyl Ester; (|AR)-Acetyloxybenzenebutanoic Acid Methyl Ester |
IUPAC Name: | methyl 2-acetyloxy-4-phenylbutanoate |
Description: | A useful reactant used in the preparation of 2-substituted 4-phenylbutyric acids and their derivatives. |
Molecular Weight: | 236.26 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | CC(=O)OC(CCC1=CC=CC=C1)C(=O)OC |
InChI: | InChI=1S/C13H16O4/c1-10(14)17-12(13(15)16-2)9-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3 |
InChI Key: | XORJJQPJPVIZLU-UHFFFAOYSA-N |
Solubility: | Chloroform, Ethyl Acetate |
Appearance: | Yellow Oil |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.10485899 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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