1-(2,3-Dihydro-5-benzofuranyl)ethanone

C₁₀H₁₀O₂CAS 90843-31-5162.19 g/mol

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Properties

Molecular formula: C₁₀H₁₀O₂
Molar mass: 162.19 g/mol
Exact mass: 162.0681 Da
logP: 1.82Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

90843-31-5

SMILES

CC(=O)C1=CC2=C(C=C1)OCC2

InChIKey

MMVUJVASBDVNGJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3

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Names and synonyms

1 names

5-Acetyl-2,3-dihydrobenzo(B)furan

Work with 1-(2,3-Dihydro-5-benzofuranyl)ethanone

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

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-168 % similar 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one22776-09-664 % similar 2,3-Dihydro-1-benzofuran-5-carbonyl chloride55745-71-662 % similar 2,3-Dihydrobenzo(b)furan-5-carboxylic acid76429-73-762 % similar 5-Acetyl-1,3-benzodioxole3162-29-658 % similar 6-Acetyltetralin774-55-056 % similar 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one62581-82-254 % similar 2,7-Diacetylfluorene961-27-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Gamma-Phenyl-gamma-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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