Ethyl (R)-(-)-Mandelate - CAS 10606-72-1
Catalog: |
BB001769 |
Product Name: |
Ethyl (R)-(-)-Mandelate |
CAS: |
10606-72-1 |
Synonyms: |
(2R)-2-hydroxy-2-phenylacetic acid ethyl ester; ethyl (2R)-2-hydroxy-2-phenylacetate |
IUPAC Name: | ethyl (2R)-2-hydroxy-2-phenylacetate |
Description: | Ethyl (R)-(-)-Mandelate (CAS# 10606-72-1) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCOC(=O)C(C1=CC=CC=C1)O |
InChI: | InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m1/s1 |
InChI Key: | SAXHIDRUJXPDOD-SECBINFHSA-N |
Boiling Point: | 254 °C at 760 mmHg |
Density: | 1.147 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00064248 |
LogP: | 1.28310 |
Publication Number | Title | Priority Date |
WO-2021047166-A1 | Method for synthesizing tranylcypromine intermediate | 20190911 |
WO-2020132819-A1 | Method for preparing (1r,3s)-3-aminocyclopentanol hydrochloride | 20181224 |
CN-107739741-B | Method for synthesizing oxaziridine by chemoenzymatic method | 20171115 |
JP-2019112305-A | Pharmaceutical composition for treatment or prevention of atopic dermatitis | 20160428 |
JP-2019112306-A | Pharmaceutical composition for treatment or prevention of chronic obstructive pulmonary disease | 20160428 |
PMID | Publication Date | Title | Journal |
20049620 | 20100301 | Biochemical characterization of a recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius | Extremophiles : life under extreme conditions |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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