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2-Phenylpropionic acid

CAT: 0013-GTR19270195-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19270195-01Size:1 ml x 10 mM (in DMSO)
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Description
2-Phenylpropionic acid, with CAS No. 492-37-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2-Phenylpropionic 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.
CAS Number
492-37-5
Purity
98.00% (May vary between batches)
Molecular Formula
C9H10O2
Molecular Weight
150.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Phenylpropionic acid

Hydratropic acid is a 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. It has a role as a human xenobiotic metabolite. It is functionally related to a phenylacetic acid.

CAS Number492-37-5
PubChem CID10296
IUPAC Name2-phenylpropanoic acid
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP1.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CC(C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey
YPGCWEMNNLXISK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylpropionic acid
CAS: 492-37-5
CID: 10296
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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