Pyran-3,5-dione

C₅H₆O₃CAS 61363-56-2114.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆O₃
Molar mass: 114.10 g/mol
Exact mass: 114.0317 Da
logP: -0.46Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

61363-56-2

SMILES

C1C(=O)COCC1=O

InChIKey

SMIQVIXGQSMHKF-UHFFFAOYSA-N

InChI

InChI=1S/C5H6O3/c6-4-1-5(7)3-8-2-4/h1-3H2

Weigh it out

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

Names and synonyms

1 names

2H-Pyran-3,5(4H,6H)-dione

Work with Pyran-3,5-dione

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

3-Oxetanone6704-31-073 % similar 3-Oxotetrahydrofuran22929-52-850 % similar 1,3-Cyclohexanedione504-02-950 % similar Tetronic acid4971-56-648 % similar 1,3-Cyclopentanedione3859-41-447 % similar 2H-Pyran-3(4H)-one, dihydro-23462-75-145 % similar Cycloheptane-1,3-dione1194-18-942 % similar Tetrahydro-4H-pyran-4-one29943-42-840 % 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

PubChem CAS Common Chemistry NIST WebBook