chempirical

Isobutyric anhydride

C8H14O3CAS 97-72-3158.20 g/mol

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OOO
Acid anhydride

Properties

Molecular formula
C8H14O3
Molar mass
158.20 g/mol
Exact mass
158.0943 Da
Density
0.9535 g/mL (at 20 °C)
Melting point
−53.5 °C
Boiling point
181.5 °C (at 734 Torr)
logP
1.37Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
97-72-3
SMILES
CC(C)C(=O)OC(=O)C(C)C
InChIKey
LSACYLWPPQLVSM-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

10 names
  • Propanoic acid, 2-methyl-, 1,1′-anhydride
  • Propanoic acid, 2-methyl-, anhydride
  • Isobutyric acid anhydride
  • Isobutyryl anhydride
  • 2-Methylpropanoic anhydride
  • Isobutanoic anhydride
  • 2-Methylpropionic anhydride
  • 2-Methylpropanoic acid anhydride
  • 2-Methylpropionic acid anhydride
  • 2-Methylpropanoyl-2-methylpropanoate

Work with Isobutyric anhydride

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

Methyl isobutyrate547-63-760 % similar Isopropyl isobutyrate617-50-557 % similar Ethyl isobutyrate97-62-152 % similar Tetrahydrocyclobuta[1,2-C:3,4-C′]difuran-1,3,4,6-tetrone4415-87-650 % similar Lactic anhydride97-73-450 % similar Isobutyl isobutyrate97-85-850 % similar Propyl isobutyrate644-49-548 % similar Isoamyl isobutyrate2050-01-346 % similar

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

Same formula

Butyric anhydride106-31-0 Ethyl 5-oxohexanoate13984-57-1 tert-Butyl acetoacetate1694-31-1 Methyl 4-hydroxycyclohexanecarboxylate17449-76-2 Ethoxyethyl methacrylate2370-63-0 Ethyl 3-oxohexanoate3249-68-1 Methyl 3-oxoheptanoate39815-78-6 Methyl 4,4-dimethyl-3-oxopentanoate55107-14-7

Elsewhere

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