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4-Carboxy-9-fluorenone

CAT: 0572-TRC-O870133-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O870133-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6223-83-2
Synonyms
Fluorenone-4-carboxylic Acid; Fluorenone-5-carboxylic Acid; NSC 27908; 9-Oxo-9H-fluorene-4-carboxylic Acid; 9-Fluorenone-4-carboxylic Acid
Hazard Statement
No Data Available
Smiles
OC(=O)c1cccc2C(=O)c3ccccc3c12
Molecular Formula
C14H8O3
Molecular Weight
224.21
Shipping Conditions
Room Temperature

Chemical Information

9-Oxofluorene-4-carboxylic acid
CAS Number6223-83-2
PubChem CID80361
IUPAC Name9-oxofluorene-4-carboxylic acid
Molecular FormulaC14H8O3
Molecular Weight224.21
XLogP2.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity349
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)O
InChI
InChI=1S/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17)
InChIKey
AFQYQSWTVCNJQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Oxofluorene-4-carboxylic acid
CAS: 6223-83-2
CID: 80361
Formula: C14H8O3
MW: 224.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.21
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass224.047344113
Monoisotopic Mass224.047344113
Topological Polar Surface Area54.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity349
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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