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(E) -m-Coumaric acid

CAT: 0931-T7453-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T7453-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14755-02-3
Target
Antioxidant, Endogenous Metabolite
Related Pathways
Metabolism, Oxidation-Reduction
Purity
0.9992
Bioactivity
(E) -m-Coumaric acid [3-Hydroxycinnamic acid] is a natural product isolated from Cinnamomum cassia Presl, exhibiting antioxidant activity.
Smiles
C(=C/C(O)=O)\C1=CC(O)=CC=C1
Molecular Formula
C9H8O3
Molecular Weight
164.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-coumaric acid, (E)-

3-coumaric acid is a monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 3-coumarate.

CAS Number14755-02-3
PubChem CID637541
IUPAC Name(E)-3-(3-hydroxyphenyl)prop-2-enoic acid
Molecular FormulaC9H8O3
Molecular Weight164.16
XLogP1.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity186
SMILES
C1=CC(=CC(=C1)O)/C=C/C(=O)O
InChI
InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChIKey
KKSDGJDHHZEWEP-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of 3-coumaric acid, (E)-
CAS: 14755-02-3
CID: 637541
Formula: C9H8O3
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP31.8
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
Complexity186
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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Alternative Products

CatalogName
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A19189-100M-Coumaric acid 100mg
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A19189-10mM-DM-Coumaric acid 10mM * 1mL in DMSO
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