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Compound Fr13931

CAT: 0013-GTR19270007-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270007-01Size:500 mg
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Description
Compound Fr13931, with CAS No. 1505-50-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13931 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
1505-50-6
Purity
99.52% (May vary between batches)
Smiles
CC1=CC=C (CCC (O) =O) C=C1
Molecular Formula
C10H12O2
Molecular Weight
164.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(P-Tolyl)Propionic Acid
CAS Number1505-50-6
PubChem CID73927
IUPAC Name3-(4-methylphenyl)propanoic acid
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity146
SMILES
CC1=CC=C(C=C1)CCC(=O)O
InChI
InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey
LDYGRLNSOKABMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(P-Tolyl)Propionic Acid
CAS: 1505-50-6
CID: 73927
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity146
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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ALX-550-516-M025Compound A
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A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
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PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

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