Acetylpropionyl

C₅H₈O₂CAS 600-14-6100.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
Density: 0.9571 g/mL (at 17 °C)
Boiling point: 108 °C
logP: 0.55Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

600-14-6

SMILES

CCC(=O)C(C)=O

InChIKey

TZMFJUDUGYTVRY-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

2,3-Pentanedione
NSC 7613

Work with Acetylpropionyl

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Hexanedione4437-51-861 % similar 2,3-Hexanedione3848-24-657 % similar 2,3-Heptanedione96-04-852 % similar α-Ketobutyric acid600-18-046 % similar Diacetyl431-03-844 % similar Butanone78-93-341 % similar Ethyl 2-oxobutanoate15933-07-041 % similar Sodium 2-oxobutyrate2013-26-541 % similar

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

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 Methyl cyclopropanecarboxylate2868-37-3

Elsewhere

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