Dibenzyl pyrocarbonate

C16H14O5CAS 31139-36-3286.28 g/mol

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Acid anhydrideCarbonate

Properties

Molecular formula
C16H14O5
Molar mass
286.28 g/mol
Exact mass
286.0841 Da
logP
3.68Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
31139-36-3
SMILES
C1=CC=C(C=C1)COC(=O)OC(=O)OCC2=CC=CC=C2
InChIKey
FHRRJZZGSJXPRQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2

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Names and synonyms

1 names
  • Dibenzyl dicarbonate

Work with Dibenzyl pyrocarbonate

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) carbonate3459-92-583 % similar Phenyl phenylmethyl carbonate28170-07-269 % similar Dibenzyl oxalate7579-36-463 % similar N-(Benzyloxycarbonyloxy)succinimide13139-17-861 % similar Dibenzyl succinate103-43-559 % similar Dibenzyl malonate15014-25-259 % similar Benzyl phenylacetate102-16-957 % similar Benzyl benzoate120-51-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenoxyacetic anhydride14316-61-1 (+)-Heraclenin2880-49-1 Sakuranetin2957-21-3 Brazilin474-07-7 Isosakuranetin480-43-3 Guacetisal55482-89-8 Licochalcone B58749-23-8 Oxypeucedanin737-52-0

Elsewhere

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