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9,9-Diethyl-9H-fluorene

CAT: 0127-OR1051857-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1051857-01Size:250 mg
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CAS Number
2294-79-3
MDL Number
MFCD00971284
Purity
95%
Smiles
CCC1(CC)C2=C(C3=C1C=CC=C3)C=CC=C2

Chemical Information

9,9-Diethylfluorene
CAS Number2294-79-3
PubChem CID3531044
IUPAC Name9,9-diethylfluorene
Molecular FormulaC17H18
Molecular Weight222.32
XLogP5.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity239
SMILES
CCC1(C2=CC=CC=C2C3=CC=CC=C31)CC
InChI
InChI=1S/C17H18/c1-3-17(4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12H,3-4H2,1-2H3
InChIKey
DXLHOCYBTWOELM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,9-Diethylfluorene
CAS: 2294-79-3
CID: 3531044
Formula: C17H18
MW: 222.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.32
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass222.140850574
Monoisotopic Mass222.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity239
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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