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Compound Fr13879

CAT: 0013-GTR19269996-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269996-02Size:5 mg
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Description
Compound Fr13879, with CAS No. 71897-72-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13879 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
71897-72-8
Smiles
O1C=CC=C1CN2CCOCC2
Molecular Formula
C9H13NO2
Molecular Weight
167.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Furan-2-ylmethyl)morpholine
CAS Number71897-72-8
PubChem CID870783
IUPAC Name4-(furan-2-ylmethyl)morpholine
Molecular FormulaC9H13NO2
Molecular Weight167.20
XLogP0.5
Topological Polar Surface Area25.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity134
SMILES
C1COCCN1CC2=CC=CO2
InChI
InChI=1S/C9H13NO2/c1-2-9(12-5-1)8-10-3-6-11-7-4-10/h1-2,5H,3-4,6-8H2
InChIKey
WIRPOZXJJTYZDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Furan-2-ylmethyl)morpholine
CAS: 71897-72-8
CID: 870783
Formula: C9H13NO2
MW: 167.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass167.094628657
Monoisotopic Mass167.094628657
Topological Polar Surface Area25.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
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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