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Bpda

C16H6O6CAS 2420-87-3294.22 g/mol

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Acid anhydride

Properties

Molecular formula
C16H6O6
Molar mass
294.22 g/mol
Exact mass
294.0164 Da
Melting point
267 °C
logP
1.97Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
1

Identifiers

CAS number
2420-87-3
SMILES
O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIKey
WKDNYTOXBCRNPV-UHFFFAOYSA-N
InChI
InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H

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Names and synonyms

19 names · show all
  • [5,5′-Biisobenzofuran]-1,1′,3,3′-tetrone
  • 3,3′,4,4′-Biphenyltetracarboxylic 3,4:3′,4′-dianhydride
  • [1,1′-Biphenyl]-3,3′,4,4′-tetracarboxylic 3,4:3′,4′-dianhydride
  • 4,4′-Biphthalic anhydride
  • 3,3′,4,4′-Biphenyltetracarboxylic dianhydride
  • 3,3′,4,4′-Biphenyltetracarboxylic acid anhydride
  • 3,3′,4,4′-Biphenyltetracarboxylic acid dianhydride
  • 3,3′,4,4′-Biphenyltetracarboxylic anhydride
  • 3,4,3′,4′-Biphenyltetracarboxylic dianhydride
  • 3,4,3′,4′-Biphenyltetracarboxylic acid dianhydride
  • 4,4′-Biphthalic dianhydride
  • B 1326
  • 1,1′-Biphenyl-3,3′,4,4′-tetracarboxylic acid dianhydride
  • s-BPDA
  • 1,1′-Biphenyl-3,3′,4,4′-tetracarboxylic dianhydride
  • 3,3′,4,4′-Diphenyltetracarboxylic dianhydride
  • 3,3′,4,4′-Biphenyltetracarbocylic dianhydride
  • 3,3′,5,5′-Biphenyltetracarboxylic 3,5:3′,5′-dianhydride
  • [5,5′]Biisobenzofuranyl-1,3,1′,3′-tetraone

Work with Bpda

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 anhydride1823-59-263 % similar 4-Chlorophthalic anhydride118-45-661 % similar 4-Methylphthalic anhydride19438-61-061 % similar Benzophenonetetracarboxylic dianhydride2421-28-561 % similar 4-Fluorophthalic anhydride319-03-961 % similar 4-Bromophthalic anhydride86-90-861 % similar Naphthalenetetracarboxylic dianhydride81-30-158 % similar Phthalic anhydride85-44-958 % similar

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

Same formula

2,3′,3,4′-Biphenyltetracarboxylic dianhydride36978-41-3

Elsewhere

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