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P-Coumaric acid

CAT: 0013-GTR19172501-06Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19172501-06Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P-Coumaric acid, the predominant isomer of cinnamic acid, exhibits antitumor and anti-mutagenic properties. It is widely used in research areas such as cancer biology and chemoprevention, with applications in both in vitro cell culture studies and in vivo experimental models.
CAS Number
501-98-4
Product Name Alternative
Trans-4-Hydroxycinnamic acid, Trans-p-Coumaric acid, P-Hydroxycinnamic acid, p Coumaric acid, 4-Coumaric acid, 4-Hydroxycinnamic acid, Antibiotic, inhibit, pCoumaric acid, p-Coumaric acid, para-Coumaric Acid, Inhibitor, EndogenousMetabolite, Endogenous Metabolite
Field of Research
Cell Biology, Infectious Disease & Virology, Metabolism Research
Purity
99.51% (May vary between batches)
Solubility
DMSO:55.5 mg/mL (338.08 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (24.37 mM)
Smiles
OC (=O) \C=C\C1=CC=C (O) C=C1
Molecular Formula
C9H8O3
Molecular Weight
164.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

P-Coumaric Acid

4-coumaric acid is a coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 4-coumarate.

CAS Number501-98-4
PubChem CID637542
IUPAC Name(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Molecular FormulaC9H8O3
Molecular Weight164.16
XLogP1.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity178
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)O
InChI
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKey
NGSWKAQJJWESNS-ZZXKWVIFSA-N
Chemical Structure
2D Structure
2D structure of P-Coumaric Acid
CAS: 501-98-4
CID: 637542
Formula: C9H8O3
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass164.047344113
Monoisotopic Mass164.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity178
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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