9-Fluorenone-2,7-dicarboxylic acid

C15H8O5CAS 792-26-7268.22 g/mol

Open in Covalent MOL file
OOHOOOH
Carboxylic acidKetone

Properties

Molecular formula
C15H8O5
Molar mass
268.22 g/mol
Exact mass
268.0372 Da
logP
2.29Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
792-26-7
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)C3=C2C=CC(=C3)C(=O)O
InChIKey
XMIFYVJZYNTBTI-UHFFFAOYSA-N
InChI
InChI=1S/C15H8O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H,(H,17,18)(H,19,20)

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Names and synonyms

1 names
  • 9-Oxo-9H-fluorene-2,7-dicarboxylic acid

Work with 9-Fluorenone-2,7-dicarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fluorenone-2-carboxylic acid784-50-983 % similar 2-Anthraquinonecarboxylic acid117-78-268 % similar Trimellitic acid528-44-962 % similar Benzophenonetetracarboxylic acid2479-49-458 % similar 2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid41738-56-156 % similar 4-Hydroxyisophthalic acid636-46-456 % similar 2,6-Naphthalenedicarboxylic acid1141-38-455 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Coumestrol479-13-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook