6,13-Pentacenequinone

C₂₂H₁₂O₂CAS 3029-32-1308.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₁₂O₂
Molar mass: 308.34 g/mol
Exact mass: 308.0837 Da
logP: 4.77Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

3029-32-1

SMILES

C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O

InChIKey

UFCVADNIXDUEFZ-UHFFFAOYSA-N

InChI

InChI=1S/C22H12O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H

Weigh it out

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

Work with 6,13-Pentacenequinone

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

Anthraquinone84-65-160 % similar 2,3-Naphthalenedicarboxylic acid2169-87-156 % similar 1,4-Anthraquinone635-12-156 % similar 2,3-Naphthalenedicarboxylic anhydride716-39-256 % similar 2,3-Dimethylanthraquinone6531-35-754 % similar Bianthrone434-85-552 % similar Fluorenone486-25-952 % similar 2-Aminoanthraquinone117-79-350 % similar

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

Elsewhere

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