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Ethyl p-hydroxyphenyllactate

CAT: 0013-GTR19181835Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181835Size:25 mg
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Description
Ethyl p-hydroxyphenyllactate
CAS Number
62517-34-4
Smiles
CCOC (=O) C (O) Cc1ccc (O) cc1
Molecular Formula
C11H14O4
Molecular Weight
210.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl p-hydroxyphenyllactate
CAS Number62517-34-4
PubChem CID21930973
IUPAC Nameethyl 2-hydroxy-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity197
SMILES
CCOC(=O)C(CC1=CC=C(C=C1)O)O
InChI
InChI=1S/C11H14O4/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10,12-13H,2,7H2,1H3
InChIKey
MPPNCBJETJUYAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl p-hydroxyphenyllactate
CAS: 62517-34-4
CID: 21930973
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area66.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity197
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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