chempirical

2,3-Dihydrobenzofuran-5-carboxaldehyde

C9H8O2CAS 55745-70-5148.16 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C9H8O2
Molar mass
148.16 g/mol
Exact mass
148.0524 Da
Boiling point
140–142 °C (at 8 Torr)
logP
1.43Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
55745-70-5
SMILES
O=Cc1ccc2c(c1)CCO2
InChIKey
WEBVDBDZSOJGPB-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2

Weigh it out

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

Names and synonyms

10 names
  • 5-Benzofurancarboxaldehyde, 2,3-dihydro-
  • 2,3-Dihydro-5-benzofurancarboxaldehyde
  • 5-Formylcoumaran
  • 5-Formyl-2,3-dihydrobenzo[b]furan
  • 5-Formyl-2,3-dihydrobenzofuran
  • 2,3-Dihydrobenzo[b]furan-5-carboxaldehyde
  • 2,3-Dihydro-1-benzofuran-5-carboxaldehyde
  • 5-Formyl-2,3-dihydro-1-benzofuran
  • 2,3-Dihydro-1-benzofuran-5-carbaldehyde
  • 2,3-Dihydrobenzofuran-5-carbaldehyde

Work with 2,3-Dihydrobenzofuran-5-carboxaldehyde

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

1,4-Benzodioxan-6-carboxaldehyde29668-44-865 % similar 4-Carboxaldehydebenzocyclobutene112892-88-355 % similar Piperonal120-57-055 % similar 3,4-Diethoxybenzaldehyde2029-94-954 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-849 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-249 % similar (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-747 % similar 5-(2-Bromoethyl)-2,3-dihydrobenzofuran127264-14-647 % similar

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

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3-Isochromanone4385-35-7 3,4-Dihydroisocoumarin4702-34-5 Chromanone491-37-2 α-Phenylacrylic acid492-38-6

Elsewhere

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