Home Other Building Blocks (+)-Ethyl Mandelate

(+)-Ethyl Mandelate

CAS No.:
4358-88-7
Catalog Number:
AG003BCY
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG003BCY
Chemical Name:
(+)-Ethyl Mandelate
CAS Number:
4358-88-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00004494
IUPAC Name:
ethyl 2-hydroxy-2-phenylacetate
InChI:
InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
InChI Key:
SAXHIDRUJXPDOD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1)O
NSC Number:
5307
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Biochemical characterization of a recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius. Extremophiles : life under extreme conditions 20100301
Improvements of enzyme activity and enantioselectivity via combined substrate engineering and covalent immobilization. Biotechnology and bioengineering 20081015
Synthesis and configurational assignment of the amino alcohol in the eastern fragment of the GE2270 antibiotics by regio- and stereoselective addition of 2-metalated 4-bromothiazoles to alpha-chiral electrophiles. The Journal of organic chemistry 20060609
Validation of the accuracy of the perturbation peak method for determination of multicomponent adsorption isotherm parameters in LC. Analytical chemistry 20040915
[Enantiomeric separation of mandelic acid and its analogues by high performance liquid chromatography with 2,6-di-O-pentyl-beta-cyclodextrin coated symmetry C8 column]. Se pu = Chinese journal of chromatography 20040701
Esters of mandelic acid as substrates for (S)-mandelate dehydrogenase from Pseudomonas putida: implications for the reaction mechanism. Biochemistry 20040224
Properties