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Compound Fr12959

CAT: 0013-GTR19269862-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269862-02Size:5 mg
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Description
Compound Fr12959, with CAS No. 39732-01-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12959 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
39732-01-9
Purity
98.54% (May vary between batches)
Smiles
COC (=O) C1=C (C=CC=C1) C1=CC=CO1
Molecular Formula
C12H10O3
Molecular Weight
202.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 2-(2-furyl)benzoate
CAS Number39732-01-9
PubChem CID3597578
IUPAC Namemethyl 2-(furan-2-yl)benzoate
Molecular FormulaC12H10O3
Molecular Weight202.21
XLogP2.5
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity227
SMILES
COC(=O)C1=CC=CC=C1C2=CC=CO2
InChI
InChI=1S/C12H10O3/c1-14-12(13)10-6-3-2-5-9(10)11-7-4-8-15-11/h2-8H,1H3
InChIKey
WQAMGCYGCDNQDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(2-furyl)benzoate
CAS: 39732-01-9
CID: 3597578
Formula: C12H10O3
MW: 202.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.21
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass202.062994177
Monoisotopic Mass202.062994177
Topological Polar Surface Area39.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity227
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

Related Products

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GTR19269864-01Compound Fr12986
GTR19269863-01Compound Fr12964
GTR19269860-01Compound Fr12944
GTR19269854-01Compound Fr12899
GTR19269836-01Compound Fr12755

Alternative Products

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ALX-550-516-M025Compound A
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B7337-5Compound 401
XXC35825-01Compound 3a
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PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

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