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Ethyl 2-hydroxy-3-phenylpropanoate

CAT: 0127-OR1060443-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1060443-01Size:100 mg
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CAS Number
15399-05-0
MDL Number
MFCD00128177
Purity
98%
Smiles
O=C(OCC)C(O)CC1=CC=CC=C1

Chemical Information

Ethyl phenyllactate, (+-)-

Ethyl 2-hydroxy-3-phenylpropanoate is a carboxylic ester obtained by the formal condensation of the carboxy group of 3-hydroxy-3-phenylpropionic acid with ethanol. It has a role as a metabolite. It is a member of benzenes and a carboxylic ester. It is functionally related to a 3-hydroxy-3-phenylpropionic acid.

CAS Number15399-05-0
PubChem CID6429708
IUPAC Nameethyl 2-hydroxy-3-phenylpropanoate
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity173
SMILES
CCOC(=O)C(CC1=CC=CC=C1)O
InChI
InChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKey
HBOGUIFRIAXYNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl phenyllactate, (+-)-
CAS: 15399-05-0
CID: 6429708
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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