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P-Hydroxyphenylethyl p-coumarate

CAT: 0013-GTR19228143-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228143-01Size:1 mg
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Description
P-Hydroxyphenylethyl p-coumarate is a research biochemical used in life science studies. It is investigated in vitro for its potential antioxidant and anti-inflammatory properties, relevant to pharmacological and phytochemical research fields.
CAS Number
149030-02-4
Smiles
C (COC (/C=C/C1=CC=C (O) C=C1) =O) C2=CC=C (O) C=C2
Molecular Formula
C17H16O4
Molecular Weight
284.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-4-Hydroxyphenethyl 3-(4'-Hydroxyphenyl)Acrylate

4-Hydroxyphenethyl 3-(4-hydroxyphenyl)acrylate has been reported in Goniothalamus laoticus and Dendrobium falconeri with data available.

CAS Number149030-02-4
PubChem CID16119626
IUPAC Name2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP3.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity337
SMILES
C1=CC(=CC=C1CCOC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI
InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
InChIKey
ZCFLGZLKECDZFW-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of (E)-4-Hydroxyphenethyl 3-(4'-Hydroxyphenyl)Acrylate
CAS: 149030-02-4
CID: 16119626
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass284.10485899
Monoisotopic Mass284.10485899
Topological Polar Surface Area66.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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