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Phenanthrene-9,10-dione

CAT: 0013-GTR19255052-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255052-01Size:500 mg
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Description
Phenanthrene-9,10-dione is a phenanthrene derivative commonly used as an oxidising agent or photoinitiator in organic synthesis, widely applied in biochemical experiments and drug synthesis research.
CAS Number
84-11-7
Product Name Alternative
9,10-Phenanthrenequinone
Purity
98.88% (May vary between batches)
Smiles
O=C1C (=O) C=2C=CC=CC2C=3C=CC=CC13
Molecular Formula
C14H8O2
Molecular Weight
208.21
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

9,10-Phenanthrenedione

9,10-phenanthroquinone is a member of phenanthrenes.

CAS Number84-11-7
PubChem CID6763
IUPAC Namephenanthrene-9,10-dione
Molecular FormulaC14H8O2
Molecular Weight208.21
XLogP2.5
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity289
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKey
YYVYAPXYZVYDHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,10-Phenanthrenedione
CAS: 84-11-7
CID: 6763
Formula: C14H8O2
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.21
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass208.052429494
Monoisotopic Mass208.052429494
Topological Polar Surface Area34.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity289
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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