chempirical

3-Hydroxy-4-pyrone

C5H4O3CAS 496-63-9112.08 g/mol

Open in Covalent MOL file
OOHO
Phenol

Properties

Molecular formula
C5H4O3
Molar mass
112.08 g/mol
Exact mass
112.0160 Da
Melting point
117–118 °C
logP
0.35Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
496-63-9
SMILES
O=c1ccocc1O
InChIKey
VEYIMQVTPXPUHA-UHFFFAOYSA-N
InChI
InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H

Weigh it out

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

Names and synonyms

6 names
  • 4H-Pyran-4-one, 3-hydroxy-
  • 3-Hydroxy-4H-pyran-4-one
  • Pyromeconic acid
  • 3-Hydroxypyran-4-one
  • Pyrocomenic acid
  • NSC 78608

Work with 3-Hydroxy-4-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

Tropolone533-75-544 % similar 5,7-Dihydroxychromone31721-94-539 % similar Kojic acid501-30-438 % similar Maltol118-71-836 % similar 3-Furanacrylic acid39244-10-533 % similar 3-Furanmethanol4412-91-333 % similar Ethyl maltol4940-11-833 % similar 3-Furancarboxaldehyde498-60-233 % similar

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

Same formula

Itaconic anhydride2170-03-8 3-Furancarboxylic acid488-93-7 Citraconic anhydride616-02-4 2-Furoic acid88-14-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook