Diethyl oxomalonate
Properties
- Molecular formula
- C7H10O5
- Molar mass
- 174.15 g/mol
- Exact mass
- 174.0528 Da
- Density
- 1.119 g/mL (at 20 °C)
- Melting point
- −30 °C
- Boiling point
- 210 °C
- logP
- -0.32Crippen estimate
- Polar surface area
- 69.7 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
609-09-6SMILES
CCOC(=O)C(=O)C(=O)OCCInChIKey
DBKKFIIYQGGHJO-UHFFFAOYSA-NInChI
InChI=1S/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- Propanedioic acid, 2-oxo-, 1,3-diethyl ester
- Mesoxalic acid, diethyl ester
- Propanedioic acid, oxo-, diethyl ester
- 1,3-Diethyl 2-oxopropanedioate
- Ethyl mesoxalate
- Diethyl ketomalonate
- Diethyl mesoxalate
- Ethyl oxomalonate
- Ethyl ketomalonate
- Diethyl 2-oxopropane-1,3-dioate
- Diethyl oxopropanedioate
- Diethyl 2-oxomalonate
- 2-Oxomalonic acid diethyl ester
- Oxopropanedioic acid diethyl ester
- NSC 53478
- Carbonyl diethyl malonate
- Ethoxycarbonyl ethoxycarbonyl ketone
Reactions
Work with Diethyl oxomalonate
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
Diethyl oxalate95-92-174 % similar
1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-467 % similar
Diethyl methylidenemalonate3377-20-658 % similar
Ethyl pyruvate617-35-658 % similar
Ethyl 2-oxobutanoate15933-07-056 % similar
Ethyl oxalyl chloride4755-77-556 % similar
Ethyl oxamate617-36-756 % similar
1,3-Diethyl 2-(1-methylethylidene)propanedioate6802-75-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds