chempirical

Alpha-Pyrone

C5H4O2CAS 504-31-496.08 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C5H4O2
Molar mass
96.08 g/mol
Exact mass
96.0211 Da
logP
0.64Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
504-31-4
SMILES
C1=CC(=O)OC=C1
InChIKey
ZPSJGADGUYYRKE-UHFFFAOYSA-N
InChI
InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H

Weigh it out

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

Names and synonyms

17 names · show all
  • Pyran-2-one
  • 2H-Pyran-2-one
  • 2-Pyrone
  • 2-Pyranone
  • Coumalin
  • .Alpha.-Pyrone
  • 2-Oxo-2H-pyran
  • 2H-Pyrane-2-one
  • 2H-Pyran, 2-oxo-
  • 5-Hydroxy-2,4-pentadienoic acid delta-lactone
  • 2,4-Pentadienoic acid, 5-hydroxy-, .delta.-lactone
  • 2,4-Pentadienoic acid, 5-hydroxy-, delta-lactone
  • Pyranone
  • Pyrone
  • Oxidopyrylium
  • a-Pyrone
  • 5-Hydroxy-2,4-pentadienoic acid delta -lactone

Work with Alpha-Pyrone

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

Coumarin91-64-536 % similar Chromone491-38-334 % similar Alpha-furil492-94-433 % similar 2-Furonitrile617-90-333 % similar 4,6-Diphenyl-2H-pyran-2-one17372-52-032 % similar Pyrocatechol carbonate2171-74-632 % similar 2-Methylfuran534-22-532 % similar Tri(2-furyl)phosphine5518-52-532 % similar

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

Same formula

3-Furancarboxaldehyde498-60-2 2-Cyclopentene-1,4-dione930-60-9 Furfural98-01-1

Elsewhere

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