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3- (4-Fluoro-3-Methylphenyl) propionic acid

CAT: 0931-Fr21266-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr21266-01Size:200 mg
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CAS Number
881189-64-6
Purity
0.9893
Bioactivity
3- (4-Fluoro-3-Methylphenyl) propionic acid, with CAS No. 881189-64-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 3- (4-Fluoro-3-Methylphenyl) propionic acid provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1=C(F)C=CC(CCC(O)=O)=C1
Molecular Formula
C10H11FO2
Molecular Weight
182.194
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Fluoro-3-methylphenyl)propanoic acid
CAS Number881189-64-6
PubChem CID46737560
IUPAC Name3-(4-fluoro-3-methylphenyl)propanoic acid
Molecular FormulaC10H11FO2
Molecular Weight182.19
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity182
SMILES
CC1=C(C=CC(=C1)CCC(=O)O)F
InChI
InChI=1S/C10H11FO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKey
CYLOSAIKMFNNEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluoro-3-methylphenyl)propanoic acid
CAS: 881189-64-6
CID: 46737560
Formula: C10H11FO2
MW: 182.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.19
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.07430775
Monoisotopic Mass182.07430775
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity182
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
PC302266-013- (4-Fluoro-3-methylphenyl) propionic acid
PC302264-013- (3-Fluoro-4-methylphenyl) propionic acid
PC3024763- (2-Fluoro-4-methylphenyl) propionic acid
PC302265-013- (4-Fluoro-2-methylphenyl) propionic acid
PC302484-013- (3-Fluoro-5-methylphenyl) propionic acid
CQA083803- (3-Fluoro-2-methylphenyl) propionic acid
FM541643- (4-Methylphenyl) propionic acid
abx183276-013-(4-Methylphenyl)propionic acid
PC302491-013- (5-Fluoro-2-methylphenyl) propionic acid
PC302477-013- (2-Fluoro-5-methylphenyl) propionic acid

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