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3- (4-Chlorophenyl) propanoic acid

CAT: 0013-GTR19250872-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250872-01Size:200 mg
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Description
3- (4-Chlorophenyl) propanoic acid
CAS Number
2019-34-3
Purity
98.00% (May vary between batches)
Smiles
OC (=O) CCc1ccc (Cl) cc1
Molecular Formula
C9H9ClO2
Molecular Weight
184.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

beta-(p-Chlorophenyl)propionic acid
CAS Number2019-34-3
PubChem CID123137
IUPAC Name3-(4-chlorophenyl)propanoic acid
Molecular FormulaC9H9ClO2
Molecular Weight184.62
XLogP2.1
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)Cl
InChI
InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChIKey
BBSLOKZINKEUCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-(p-Chlorophenyl)propionic acid
CAS: 2019-34-3
CID: 123137
Formula: C9H9ClO2
MW: 184.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.62
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass184.0291072
Monoisotopic Mass184.0291072
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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