1-Benzofuran-3-yl acetate

C₁₀H₈O₃CAS 93680-80-9176.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈O₃
Molar mass: 176.17 g/mol
Exact mass: 176.0473 Da
logP: 2.36Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

93680-80-9

SMILES

CC(=O)OC1=COC2=CC=CC=C21

InChIKey

XCBLZAJCKKRBED-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O3/c1-7(11)13-10-6-12-9-5-3-2-4-8(9)10/h2-6H,1H3

Weigh it out

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Names and synonyms

1 names

3-Acetoxybenzofuran

Work with 1-Benzofuran-3-yl acetate

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-Naphthyl acetate830-81-954 % similar Vitamin K4573-20-651 % similar Indoxyl acetate608-08-250 % similar 2-Methoxyphenyl acetate15212-03-049 % similar 2-Methylphenyl acetate533-18-649 % similar Aspirin50-78-248 % similar 2-Chlorophenyl acetate4525-75-147 % similar Pyrogallol triacetate525-52-047 % similar

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

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 4-Hydroxy-6-methylcoumarin13252-83-0 4-Methoxycourmarin20280-81-3 2H-Chromene-3-carboxylic acid22649-28-1 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-1

Elsewhere

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