CAS 5764-85-2 | Ethyl 3-hydroxy-3-phenylpropanoate | CAS Number 5764-85-2

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5764-85-2 | Ethyl 3-hydroxy-3-phenylpropanoate

CAS No: 5764-85-2 Catalog No: AG003QHV MDL No:MFCD00086891

Product Description

Catalog Number:

AG003QHV

Chemical Name:

Ethyl 3-hydroxy-3-phenylpropanoate

CAS Number:

5764-85-2

Molecular Formula:

C11H14O3

Molecular Weight:

194.2271

MDL Number:

MFCD00086891

IUPAC Name:

ethyl 3-hydroxy-3-phenylpropanoate

InChI:

InChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3

InChI Key:

DVIBDQWVFHDBOP-UHFFFAOYSA-N

SMILES:

CCOC(=O)CC(c1ccccc1)O

EC Number:

227-288-2

NSC Number:

226071

Properties

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.23g/mol

Monoisotopic Mass:

194.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Application of comparative proteome analysis to reveal influence of cultivation conditions on asymmetric bioreduction of beta-keto ester by Saccharomyces cerevisiae.	Applied microbiology and biotechnology 20081001
Arthrobacter sp. lipase immobilization for improvement in stability and enantioselectivity.	Applied microbiology and biotechnology 20061201
Molecular cloning of enantioselective ester hydrolase from Bacillus pumilus DBRL-191.	FEMS microbiology letters 20050801