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3- (4-Cyanophenyl) propanoic acid

CAT: 0804-HY-W008014-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W008014-01Size:250 mg
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Description
3- (4-Cyanophenyl) propanoic acid is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
42287-94-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
99.95
Smiles
N#CC1=CC=C(C=C1)CCC(=O)O
Molecular Formula
C10H9NO2
Molecular Weight
175.19
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

3-(4-Cyanophenyl)-propionic acid
CAS Number42287-94-5
PubChem CID9361742
IUPAC Name3-(4-cyanophenyl)propanoic acid
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP1.2
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity220
SMILES
C1=CC(=CC=C1CCC(=O)O)C#N
InChI
InChI=1S/C10H9NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
RHIGOXBTMPLABF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Cyanophenyl)-propionic acid
CAS: 42287-94-5
CID: 9361742
Formula: C10H9NO2
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass175.063328530
Monoisotopic Mass175.063328530
Topological Polar Surface Area61.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity220
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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Alternative Products

CatalogName
422853-013- (4-Cyanophenyl) propanoic acid
MPA052002- (4-Cyanophenyl) propanoic acid
GQA73179-013-[ (4-Cyanophenyl) sulfanyl]propanoic acid
UQB53582-012-[ (4-Cyanophenyl) sulfanyl]propanoic acid
sc-310783A3-Amino-3- (4-cyanophenyl) propanoic acid
TAA17671-012-Cyano-3- (4-cyanophenyl) propanoic acid
IWC61581-013- (2-Bromo-4-cyanophenyl) propanoic acid
ZZB72552-012- (3-Cyanophenyl) propanoic acid
OR916736-013- (2-Cyanophenyl) propanoic acid
OR91638-01(R) -3-Amino-3- (4-cyanophenyl) propanoic acid

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