(S)-2-[(Methylsulfonyl)oxy]propanoic Acid - CAS 66423-08-3
Catalog: |
BB060337 |
Product Name: |
(S)-2-[(Methylsulfonyl)oxy]propanoic Acid |
CAS: |
66423-08-3 |
Synonyms: |
(S)-2-((Methylsulfonyl)oxy)propanoic acid; (2S)-2-methylsulfonyloxypropanoic Acid; (S)-2-((Methylsulfonyl)oxy)propanoicacid |
IUPAC Name: | (2S)-2-methylsulfonyloxypropanoic acid |
Description: | (S)-2-[(Methylsulfonyl)oxy]propanoic Acid is used as a treatment to significantly improve the selectivity of optically active agent (S)-2-(4-Isobutylphenyl)propionic Acid during its synthesis. |
Molecular Weight: | 168.17 |
Molecular Formula: | C4H8O5S |
Canonical SMILES: | CC(C(=O)O)OS(=O)(=O)C |
InChI: | InChI=1S/C4H8O5S/c1-3(4(5)6)9-10(2,7)8/h3H,1-2H3,(H,5,6)/t3-/m0/s1 |
InChI Key: | LFMBKSRGQHUJKP-VKHMYHEASA-N |
References: | Garot, C., et al. Bull. Soc. Chim. Belg., 105, 755-757 (1996). |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.00924453 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.00924453 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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