Ethyl (S)-2-Acetoxy-4-hydroxybutyrate - CAS 76224-59-4
Catalog: |
BB035524 |
Product Name: |
Ethyl (S)-2-Acetoxy-4-hydroxybutyrate |
CAS: |
76224-59-4 |
Synonyms: |
(2S)-2-acetyloxy-4-hydroxybutanoic acid ethyl ester; ethyl (2S)-2-acetyloxy-4-hydroxybutanoate |
IUPAC Name: | ethyl (2S)-2-acetyloxy-4-hydroxybutanoate |
Description: | Ethyl (S)-2-Acetoxy-4-hydroxybutyrate (CAS# 76224-59-4 ) is a useful research chemical. |
Molecular Weight: | 190.19 |
Molecular Formula: | C8H14O5 |
Canonical SMILES: | CCOC(=O)C(CCO)OC(=O)C |
InChI: | InChI=1S/C8H14O5/c1-3-12-8(11)7(4-5-9)13-6(2)10/h7,9H,3-5H2,1-2H3/t7-/m0/s1 |
InChI Key: | XIYLIPUQEUJGAP-ZETCQYMHSA-N |
LogP: | -0.13640 |
Publication Number | Title | Priority Date |
AU-638588-B2 | Angiotensin converting enzyme inhibitors | 19900622 |
CA-2085993-A1 | Angiotensin converting enzyme inhibitors | 19900622 |
EP-0535042-A1 | INHIBITORS FOR ANGIOTENS-CONVERTING ENZYMS. | 19900622 |
EP-0535042-B1 | Angiotensis converting enzyme inhibitors | 19900622 |
IE-65893-B1 | Angiotensin convering enzyme inhibitors | 19900622 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.08412354 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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