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9,9-Dioctyl-9H-fluorene

CAT: 0127-OR1066680-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1066680-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123863-99-0
MDL Number
MFCD08276358
Purity
97%
Smiles
CCCCCCCCC1(CCCCCCCC)C2=C(C3=C1C=CC=C3)C=CC=C2

Chemical Information

9,9-Dioctyl-9H-fluorene
CAS Number123863-99-0
PubChem CID16213863
IUPAC Name9,9-dioctylfluorene
Molecular FormulaC29H42
Molecular Weight390.6
XLogP12
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count14
Heavy Atom Count29
Formal Charge0
Complexity384
SMILES
CCCCCCCCC1(C2=CC=CC=C2C3=CC=CC=C31)CCCCCCCC
InChI
InChI=1S/C29H42/c1-3-5-7-9-11-17-23-29(24-18-12-10-8-6-4-2)27-21-15-13-19-25(27)26-20-14-16-22-28(26)29/h13-16,19-22H,3-12,17-18,23-24H2,1-2H3
InChIKey
RXACYPFGPNTUNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,9-Dioctyl-9H-fluorene
CAS: 123863-99-0
CID: 16213863
Formula: C29H42
MW: 390.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.6
XLogP312
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count14
Exact Mass390.328651340
Monoisotopic Mass390.328651340
Topological Polar Surface Area0 Ų
Heavy Atom Count29
Formal Charge0
Complexity384
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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