Chromanone

C₉H₈O₂CAS 491-37-2148.16 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₉H₈O₂
Molar mass: 148.16 g/mol
Exact mass: 148.0524 Da
Density: 1.1291 g/mL (at 99.8 °C)
Melting point: 36.5 °C
Boiling point: 160 °C (at 50 Torr)
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H303 May be harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

491-37-2

SMILES

O=C1CCOc2ccccc21

InChIKey

MSTDXOZUKAQDRL-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

9 names

4H-1-Benzopyran-4-one, 2,3-dihydro-
4-Chromanone
2,3-Dihydro-4H-1-benzopyran-4-one
2,3-Dihydro-4-benzopyranone
2,3-Dihydro-4H-chromen-4-one
NSC 174058
2,3-Dihydrochromen-4-one
Dihydrobenzopyran-4-one
3,4-Dihydro-2H-1-benzopyran-4-one

Work with Chromanone

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

Coumaranone7169-34-871 % similar 7-Bromo-4-chromanone18442-22-359 % similar 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-359 % similar 7-Fluoro-4-chromanone113209-68-057 % similar 6-Chlorochroman-4-one37674-72-957 % similar 6-Methyl-4-chromanone39513-75-257 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-057 % similar 6-Methoxy-4-chromanone5802-17-554 % similar

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

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-5 4-Acetylbenzaldehyde3457-45-2 5-Hydroxy-1-indanone3470-49-3 4-Hydroxyindan-1-one40731-98-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook