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2-Phenylfuran

CAT: 0127-OR82086-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR82086-01Size:100 mg
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CAS Number
17113-33-6
MDL Number
MFCD00234628
Purity
95%
Smiles
C1(C2=CC=CC=C2)=CC=CO1

Chemical Information

2-Phenylfuran
CAS Number17113-33-6
PubChem CID519363
IUPAC Name2-phenylfuran
Molecular FormulaC10H8O
Molecular Weight144.17
XLogP2.6
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
C1=CC=C(C=C1)C2=CC=CO2
InChI
InChI=1S/C10H8O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
InChIKey
GCXNJAXHHFZVIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylfuran
CAS: 17113-33-6
CID: 519363
Formula: C10H8O
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass144.057514874
Monoisotopic Mass144.057514874
Topological Polar Surface Area13.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
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