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3- (4-FLUOROBENZOYL) PROPIONIC ACID

CAT: 0931-T7243-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T7243-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
366-77-8
Purity
>99.99%
Bioactivity
3- (4-FLUOROBENZOYL) PROPIONIC ACID, with CAS No. 366-77-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 3- (4-FLUOROBENZOYL) 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
OC(=O)CCC(=O)C1=CC=C(F)C=C1
Molecular Formula
C10H9FO3
Molecular Weight
196.177
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Fluorobenzoyl)propionic acid

4-(4-Fluorophenyl)-4-oxobutanoic acid is an aromatic ketone.

CAS Number366-77-8
PubChem CID101359
IUPAC Name4-(4-fluorophenyl)-4-oxobutanoic acid
Molecular FormulaC10H9FO3
Molecular Weight196.17
XLogP1.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity219
SMILES
C1=CC(=CC=C1C(=O)CCC(=O)O)F
InChI
InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey
WUYWHIAAQYQKPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorobenzoyl)propionic acid
CAS: 366-77-8
CID: 101359
Formula: C10H9FO3
MW: 196.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.05357231
Monoisotopic Mass196.05357231
Topological Polar Surface Area54.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity219
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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CatalogName
GTR19257327-013- (4-FLUOROBENZOYL) PROPIONIC ACID
F025553- (4-Fluorobenzoyl) propionic acid 97%
FA70180-01β- (4-Acetoxyphenyl) propionic acid
FH244723- (4-Hydroxyphenyl) propionic acid
FB541633- (4-Bromophenyl) propionic acid
LEA14092-013- (4-Carbamoylphenoxy) propionic acid
IM57803-013- (4-Methylbenzoyl) propionic acid
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