chempirical

4-Methoxy-2(5H)-furanone

C5H6O3CAS 69556-70-3114.10 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterEtherLactone

Properties

Molecular formula
C5H6O3
Molar mass
114.10 g/mol
Exact mass
114.0317 Da
logP
0.07Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69556-70-3
SMILES
COC1=CC(=O)OC1
InChIKey
VOYDEHILKLSVNN-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 4-Methoxy-2,5-dihydrofuran-2-one

Work with 4-Methoxy-2(5H)-furanone

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

Methyl 4-chloro-3-methoxycrotonate85153-60-253 % similar 4-Hydroxy-2(5H)-furanone541-57-145 % similar Dimethyl maleate624-48-642 % similar Dimethyl fumarate624-49-742 % similar Methyl 3-methyl-2-butenoate924-50-541 % similar 4-Methoxy-3-pyrrolin-2-one69778-83-241 % similar Ethyl 2-(oxetan-3-ylidene)acetate922500-91-239 % similar Methyl glyoxylate922-68-939 % similar

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

Same formula

Glutaric anhydride108-55-4 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-1 3-Oxocyclobutanecarboxylic acid23761-23-1 Methyl 4-hydroxybut-2-ynoate31555-05-2 4,5-Dimethyl-1,3-dioxol-2-one37830-90-3 5-Hydroxy-4-methyl-2(5H)-furanone40834-42-2 Methylsuccinic anhydride4100-80-5 Vinylethylene carbonate4427-96-7

Elsewhere

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