Ethylmalonic acid
Properties
- Molecular formula
- C5H8O4
- Molar mass
- 132.11 g/mol
- Exact mass
- 132.0423 Da
- Melting point
- 114 °C
- Boiling point
- 180 °C
- logP
- 0.18Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 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
601-75-2SMILES
CCC(C(=O)O)C(=O)OInChIKey
UKFXDFUAPNAMPJ-UHFFFAOYSA-NInChI
InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Propanedioic acid, 2-ethyl-
- Malonic acid, ethyl-
- Propanedioic acid, ethyl-
- 2-Ethylpropanedioic acid
- 1,1-Propanedicarboxylic acid
- α-Carboxybutyric acid
- NSC 96615
- 2-Ethylmalonic acid
Work with Ethylmalonic acid
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
2-Ethylbutanoic acid88-09-564 % similar
2-Methylbutanoic acid116-53-058 % similar
(+)-2-Methylbutanoic acid1730-91-258 % similar
(S)-2-Hydroxybutyric acid3347-90-858 % similar
2-Methylbutanoic acid600-07-758 % similar
(+)-α-Aminobutyric acid1492-24-656 % similar
D-Alpha-aminobutyric acid2623-91-856 % similar
(R)-2-Bromobutanoic acid2681-94-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.