chempirical

1,3-Diacetoxyacetone

C7H10O5CAS 6946-10-7174.15 g/mol

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EsterKetone

Properties

Molecular formula
C7H10O5
Molar mass
174.15 g/mol
Exact mass
174.0528 Da
logP
-0.32Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

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
6946-10-7
SMILES
CC(=O)OCC(=O)COC(=O)C
InChIKey
PZVCVSQSQHGBNE-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O5/c1-5(8)11-3-7(10)4-12-6(2)9/h3-4H2,1-2H3

Weigh it out

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Work with 1,3-Diacetoxyacetone

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

1-(Acetyloxy)-3-chloro-2-propanone40235-68-571 % similar 1-(Acetyloxy)-2-propanone592-20-161 % similar Acetoxyacetic acid13831-30-658 % similar Glycol diacetate111-55-757 % similar cis-1,4-Diacetoxy-2-butene25260-60-057 % similar 2-(Acetyloxy)acetyl chloride13831-31-756 % similar Methallyl acetate820-71-356 % similar Ethyl acetate141-78-652 % similar

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

Same formula

Dimethyl 2-oxoglutarate13192-04-6 Shikimic acid138-59-0 1,5-Dimethyl 3-oxopentanedioate1830-54-2 1,3-Dimethyl 2-(methoxymethylene)propanedioate22398-14-7 Maleic acid-methyl vinyl ether copolymer25153-40-6 Diethyl oxomalonate609-09-6

Elsewhere

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