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Cinnamic acid

CAT: 0013-GTR19169554-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169554-01Size:50 mg
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Description
Cinnamic acid
CAS Number
621-82-9
Product Name Alternative
β-Phenylacrylic acid, Cinnamic acid, beta-Phenylacrylic acid, b-Phenylacrylic acid, 3-Phenylacrylic acid, inhibit, Inhibitor, EndogenousMetabolite, Endogenous Metabolite
Field of Research
Metabolism Research
Purity
98.00% (May vary between batches)
Solubility
Ethanol:50 mg/mL (337.47 mM)
Smiles
O=C (O) C=CC=1C=CC=CC1
Molecular Formula
C9H8O2
Molecular Weight
148.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cinnamic Acid

Cinnamic acid is a monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. It has a role as a plant metabolite. It is a member of cinnamic acids and a member of styrenes. It is a conjugate acid of a cinnamate.

CAS Number621-82-9
PubChem CID444539
IUPAC Name(E)-3-phenylprop-2-enoic acid
Molecular FormulaC9H8O2
Molecular Weight148.16
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=CC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey
WBYWAXJHAXSJNI-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of Cinnamic Acid
CAS: 621-82-9
CID: 444539
Formula: C9H8O2
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass148.052429494
Monoisotopic Mass148.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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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CatalogName
300082Cinnamic acid

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