chempirical

1-Benzofuran-5-carbaldehyde

C9H6O2CAS 10035-16-2146.14 g/mol

Open in Covalent MOL file
OO
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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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

5-Benzofuranol13196-10-647 % similar 6-Methoxy-2-naphthaldehyde3453-33-644 % similar 5-Methoxybenzofuran13391-28-144 % similar Indole-5-carboxaldehyde1196-69-643 % similar 4-Carboxaldehydebenzocyclobutene112892-88-339 % similar Protocatechuic aldehyde139-85-539 % similar 3,4-Difluorobenzaldehyde34036-07-239 % similar 3,4-Dimethylbenzaldehyde5973-71-739 % similar

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

Same formula

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

Elsewhere

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