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Cinnamic acid

CAT: 0931-T5646-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T5646-04Size:1 g
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CAS Number
621-82-9
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9994
Bioactivity
Cinnamic acid (β-Phenylacrylic acid) has potential use in cancer intervention, The concentration causing a 50% reduction of cell proliferation (IC50) ranged from 1 to 4.5 mM in glioblastoma, melanoma, prostate and lung carcinoma cells.
Smiles
O=C(O)C=CC=1C=CC=CC1
Molecular Formula
C9H8O2
Molecular Weight
148.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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