(αR)-Acetyloxybenzenebutanoic Acid - CAS 117017-04-6
Catalog: |
BB061220 |
Product Name: |
(αR)-Acetyloxybenzenebutanoic Acid |
CAS: |
117017-04-6 |
Synonyms: |
(alphaR)-Acetyloxybenzenebutanoic Acid; (2R)-2-acetyloxy-4-phenylbutanoic acid; (|AR)-Acetyloxybenzenebutanoic Acid; 2(R)-acetoxy-4-phenylbutanoic acid; (2R)-2-Acetoxy-4-phenylbutanoic acid |
IUPAC Name: | (2R)-2-acetyloxy-4-phenylbutanoic acid |
Description: | Reactant used in the preparation of Benazepril (B119750). |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | CC(=O)OC(CCC1=CC=CC=C1)C(=O)O |
InChI: | InChI=1S/C12H14O4/c1-9(13)16-11(12(14)15)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)/t11-/m1/s1 |
InChI Key: | IRUYOQOUDJZKEH-LLVKDONJSA-N |
Solubility: | Chloroform, Ethyl Acetate, Methanol |
Appearance: | Yellow Oil |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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