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Trans-3,4-Difluorocinnamic acid

CAT: 0804-HY-W016298Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W016298Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Trans-3,4-Difluorocinnamic acid ((E) -3- (3,4-Difluorophenyl) acrylic acid) is a biochemical reagent that can be used as a biological material or organic compound for life science related research[1].
CAS Number
112897-97-9
Product Name Alternative
(E) -3- (3,4-Difluorophenyl) acrylic acid
UNSPSC
12352200
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/trans-3-4-difluorocinnamic-acid.html
Purity
99.91
Solubility
10 mM in DMSO
Smiles
OC(=O)\C=C\C1=CC(F)=C(F)C=C1
Molecular Formula
C9H6F2O2
Molecular Weight
184.14
Precautions
H315, H319, H335
References & Citations
[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

trans-3,4-Difluorocinnamic acid
CAS Number112897-97-9
PubChem CID2733300
IUPAC Name(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
Molecular FormulaC9H6F2O2
Molecular Weight184.14
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity216
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)F)F
InChI
InChI=1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey
HXBOHZQZTWAEHJ-DUXPYHPUSA-N
Chemical Structure
2D Structure
2D structure of trans-3,4-Difluorocinnamic acid
CAS: 112897-97-9
CID: 2733300
Formula: C9H6F2O2
MW: 184.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.14
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass184.03358575
Monoisotopic Mass184.03358575
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity216
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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