1-Benzofuran-5-carbaldehyde

C₉H₆O₂CAS 10035-16-2146.14 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₉H₆O₂
Molar mass: 146.14 g/mol
Exact mass: 146.0368 Da
logP: 2.25Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

10035-16-2

SMILES

C1=CC2=C(C=CO2)C=C1C=O

InChIKey

LLLBDLDNTMMZHL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1-Benzofuran-5-carbaldehyde

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-Formaldehydecoumarin51690-26-756 % similar 2-Naphthalenecarboxaldehyde66-99-948 % similar 5-Benzofuranol13196-10-647 % similar 5-Bromo-1-benzofuran23145-07-547 % similar 6-Methoxy-2-naphthaldehyde3453-33-644 % similar 5-Methoxybenzofuran13391-28-144 % similar Benzofuran-5-boronic acid331834-13-044 % similar 6-Hydroxy-2-naphthaldehyde78119-82-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Ethynylbenzoic acid10602-00-3 1,2-Indandione16214-27-0 2-Benzofurancarboxaldehyde4265-16-1 Chromone491-38-3 1,3-Indandione606-23-5 Phenylpropiolic acid637-44-5 Coumarin91-64-5

Elsewhere

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