chempirical

Dibenzyl oxalate

C16H14O4CAS 7579-36-4270.28 g/mol

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Ester

Properties

Molecular formula
C16H14O4
Molar mass
270.28 g/mol
Exact mass
270.0892 Da
Melting point
80 °C
logP
2.47Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
7579-36-4
SMILES
O=C(OCc1ccccc1)C(=O)OCc1ccccc1
InChIKey
ZYZXGWGQYNTGAU-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O4/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2

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Names and synonyms

6 names
  • Ethanedioic acid, 1,2-bis(phenylmethyl) ester
  • Oxalic acid, dibenzyl ester
  • Ethanedioic acid, bis(phenylmethyl) ester
  • Benzyl oxalate
  • HS 2046
  • NSC 52550

Work with Dibenzyl oxalate

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

Bis(phenylmethyl) carbonate3459-92-568 % similar Benzyl methacrylate2495-37-667 % similar Dibenzyl succinate103-43-563 % similar Dibenzyl malonate15014-25-263 % similar Benzyl tiglate37526-88-863 % similar Benzyl phenylacetate102-16-961 % similar Benzyl acetate140-11-461 % similar 1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate2449-05-061 % similar

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

Same formula

4,4′-Dimethoxybenzil1226-42-2 Cardamomin19309-14-9 1-(Phenylmethyl) 2-phenylpropanedioate25774-02-1 Medicarpin32383-76-9 Alpinetin36052-37-6 (-)-Pinostrobin480-37-5 Imperatorin482-44-0 Isoimperatorin482-45-1

Elsewhere

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