1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one

C₁₁H₁₀O₂CAS 196597-78-1174.20 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₁H₁₀O₂
Molar mass: 174.20 g/mol
Exact mass: 174.0681 Da
Melting point: 133–134 °C
logP: 1.75Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

196597-78-1

SMILES

O=C1CCc2ccc3c(c21)CCO3

InChIKey

ZZUIZMWFNOKNLN-UHFFFAOYSA-N

InChI

InChI=1S/C11H10O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h2,4H,1,3,5-6H2

Weigh it out

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

Names and synonyms

2 names

8H-Indeno[5,4-b]furan-8-one, 1,2,6,7-tetrahydro-
6,7-Dihydro-1H-indeno[5,4-b]furan-8(2H)-one

Work with 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one

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

1,2,6,7-Tetrahydro-8H-indeno-(5,4-B)-furan-8-ylidene acetonitrile196597-79-255 % similar 7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-447 % similar 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-644 % similar 7-Fluoroindan-1-one651735-59-043 % similar 6-Bromoindanone14548-39-139 % similar 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-338 % similar 8-Bromo-3,4-dihydro-2H-naphthalen-1-one651735-60-338 % similar 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethyl-4H-chromen-4-one14736-30-2 5-Phenyl-2,4-pentadienoic acid1552-94-9 Propylidenephthalide17369-59-4 Ethyl phenylpropiolate2216-94-6 Vinyl trans-cinnamate3098-92-8 6-Methoxy-2-naphthol5111-66-0 1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane63106-93-4 4-Methoxy-1-naphthol84-85-5

Elsewhere

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