Bis[(3,4-dicarboxylic anhydride) phenyl]terephthalate

C₂₄H₁₀O₁₀CAS 21117-79-3458.33 g/mol

Open in Covalent MOL file

Acid anhydride Ester

Properties

Molecular formula: C₂₄H₁₀O₁₀
Molar mass: 458.33 g/mol
Exact mass: 458.0274 Da
logP: 2.75Crippen estimate
Polar surface area: 139.3 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 4

Identifiers

CAS number

21117-79-3

SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)OC3=O)C(=O)OC4=CC5=C(C=C4)C(=O)OC5=O

InChIKey

JMHUKWKCCHMXEL-UHFFFAOYSA-N

InChI

InChI=1S/C24H10O10/c25-19(31-13-5-7-15-17(9-13)23(29)33-21(15)27)11-1-2-12(4-3-11)20(26)32-14-6-8-16-18(10-14)24(30)34-22(16)28/h1-10H

Weigh it out

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

Work with Bis[(3,4-dicarboxylic anhydride) phenyl]terephthalate

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

4,4′-Oxydiphthalic anhydride1823-59-267 % similar 4,4'-(1,4-Phenylenedioxy)bisphthalic Anhydride17828-53-465 % similar Benzophenonetetracarboxylic dianhydride2421-28-559 % similar BPDA2420-87-355 % similar Trimellitic anhydride chloride1204-28-054 % similar Ethylene glycol bis(anhydrotrimellitate)1732-96-354 % similar Trimellitic anhydride552-30-754 % similar 4-Chlorophthalic anhydride118-45-650 % similar

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

Elsewhere

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