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Compound Fr13769

CAT: 0013-GTR19269973-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269973-01Size:1 mg
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Description
Compound Fr13769, with CAS No. 6141-58-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13769 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
6141-58-8
Smiles
COC (=O) c1ccoc1C
Molecular Formula
C7H8O3
Molecular Weight
140.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 2-methylfuran-3-carboxylate
CAS Number6141-58-8
PubChem CID80237
IUPAC Namemethyl 2-methylfuran-3-carboxylate
Molecular FormulaC7H8O3
Molecular Weight140.14
XLogP1.2
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
CC1=C(C=CO1)C(=O)OC
InChI
InChI=1S/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
InChIKey
UVRRIABXNIGUJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-methylfuran-3-carboxylate
CAS: 6141-58-8
CID: 80237
Formula: C7H8O3
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass140.047344113
Monoisotopic Mass140.047344113
Topological Polar Surface Area39.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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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GTR19269965Compound Fr13719
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GTR19269976-01Compound Fr13783
GTR19269975-01Compound Fr13780
GTR19269974-01Compound Fr13776
GTR19269958-01Compound Fr13696
GTR19269947-01Compound Fr13663
GTR19269936-01Compound Fr13576
GTR19269900-01Compound Fr13279

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