Fluorenone-4-carboxylic acid

C₁₄H₈O₃CAS 6223-83-2224.21 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₁₄H₈O₃
Molar mass: 224.21 g/mol
Exact mass: 224.0473 Da
Melting point: 218–225 °C
logP: 2.60Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

6223-83-2

SMILES

O=C(O)c1cccc2c1-c1ccccc1C2=O

InChIKey

AFQYQSWTVCNJQT-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

9H-Fluorene-4-carboxylic acid, 9-oxo-
Fluorene-4-carboxylic acid, 9-oxo-
9-Oxo-9H-fluorene-4-carboxylic acid
Fluorenone-5-carboxylic acid
9-Oxofluorene-4-carboxylic acid
9-Fluorenone-4-carboxylic acid
4-Carboxy-9-fluorenone
NSC 27908

Work with Fluorenone-4-carboxylic 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

Diphenic acid482-05-360 % similar 4-Bromo-9H-fluoren-9-one4269-17-459 % similar Fluorenone486-25-955 % similar Phthalic acid88-99-355 % similar 1-Naphthoic acid86-55-553 % similar 1-Biphenyl-2-carboxylic acid947-84-253 % similar 2-Benzoylbenzoic acid85-52-951 % similar 2-(2-Aminobenzoyl)benzoic acid1147-43-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Hydroxyanthraquinone129-43-1 9-Oxo-9H-fluorenecarboxylic acid1573-92-8 Diphenic anhydride6050-13-1 2-Hydroxyanthraquinone605-32-3 Fluorenone-2-carboxylic acid784-50-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook