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3- (4-Iodophenyl) propanoic acid

CAT: 0804-HY-W104869Size: 1 EachDry Ice: NoHazardous: No
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Description
3- (4-Iodophenyl) propanoic acid is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1643-29-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.78
Smiles
O=C(O)CCC1=CC=C(I)C=C1
Molecular Formula
C9H9IO2
Molecular Weight
276.07
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

3-(4-Iodophenyl)propanoic acid
CAS Number1643-29-4
PubChem CID233238
IUPAC Name3-(4-iodophenyl)propanoic acid
Molecular FormulaC9H9IO2
Molecular Weight276.07
XLogP2.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
C1=CC(=CC=C1CCC(=O)O)I
InChI
InChI=1S/C9H9IO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChIKey
SJMRZGIIQIWIFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Iodophenyl)propanoic acid
CAS: 1643-29-4
CID: 233238
Formula: C9H9IO2
MW: 276.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.07
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass275.96473
Monoisotopic Mass275.96473
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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