chempirical

Adipic anhydride

C6H8O3CAS 2035-75-8128.13 g/mol

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Acid anhydride

Properties

Molecular formula
C6H8O3
Molar mass
128.13 g/mol
Exact mass
128.0473 Da
Melting point
60–64 °C
Boiling point
135–190 °C (at 8 Torr)
logP
0.63Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
2035-75-8
SMILES
O=C1CCCCC(=O)O1
InChIKey
JPSKCQCQZUGWNM-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2

Weigh it out

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

Names and synonyms

5 names
  • 2,7-Oxepanedione
  • Hexanedioic anhydride
  • Butanedicarboxylic anhydride
  • Hexanedioic acid, anhydride
  • Cyclic adipic anhydride

Work with Adipic 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

Glutaric anhydride108-55-493 % similar Succinic anhydride108-30-573 % similar Decanoic anhydride2082-76-067 % similar Palmitic anhydride623-65-467 % similar Heptanoic anhydride626-27-767 % similar Stearic anhydride638-08-467 % similar Valeric anhydride2082-59-965 % similar Ethylene brassylate105-95-355 % similar

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

Same formula

Glycidyl acrylate106-90-1 Ketopantolactone13031-04-4 2,2-Dimethylsuccinic anhydride17347-61-4 2,5-Bis(hydroxymethyl)furan1883-75-6 Sotolon28664-35-9 Ethyl (2E)-4-oxo-2-butenoate2960-66-9 Furaneol3658-77-3 Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-4

Elsewhere

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