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9-Fluorenone

CAT: 0926-FF00182-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FF00182-01Size:0.1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
486-25-9
MDL Number
MFCD00001141
Smiles
C1=CC=C2C (=C1) C3=CC=CC=C3C2=O
Molecular Formula
C13H8O
Molecular Weight
180.21 g/mol
Controlled
No

Chemical Information

Fluorenone

Fluoren-9-one is the simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. It has a role as a fungal xenobiotic metabolite.

CAS Number486-25-9
PubChem CID10241
IUPAC Namefluoren-9-one
Molecular FormulaC13H8O
Molecular Weight180.20
XLogP3.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChIKey
YLQWCDOCJODRMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorenone
CAS: 486-25-9
CID: 10241
Formula: C13H8O
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass180.057514874
Monoisotopic Mass180.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
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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