Chromone

C₉H₆O₂CAS 491-38-3146.14 g/mol

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Properties

Molecular formula: C₉H₆O₂
Molar mass: 146.14 g/mol
Exact mass: 146.0368 Da
Melting point: 59 °C
logP: 1.79Crippen estimate
Polar surface area: 30.2 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 irritation100% of notifiers

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

491-38-3

SMILES

O=c1ccoc2ccccc12

InChIKey

OTAFHZMPRISVEM-UHFFFAOYSA-N

InChI

InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H

Weigh it out

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

Names and synonyms

4 names

4H-1-Benzopyran-4-one
4H-Chromen-4-one
Benzo-γ-pyrone
2,3-Benzo-4-pyrone

Work with Chromone

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

6-Chlorochromone33533-99-253 % similar 6-Bromochromone51483-92-253 % similar Benzofuran271-89-644 % similar Flavone525-82-644 % similar 4-Bromobenzofuran128868-60-043 % similar 6-Chloro-7-methylchromone67029-84-943 % similar 2-Ethyl-4H-chromen-4-one14736-30-242 % similar Xanthone90-47-141 % similar

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

Same formula

1-Benzofuran-5-carbaldehyde10035-16-2 4-Ethynylbenzoic acid10602-00-3 1,2-Indandione16214-27-0 2-Benzofurancarboxaldehyde4265-16-1 1,3-Indandione606-23-5 Phenylpropiolic acid637-44-5 Coumarin91-64-5

Elsewhere

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