chempirical

Tropolone tosylate

C14H12O4SCAS 38768-08-0276.31 g/mol

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Sulfonate ester

Properties

Molecular formula
C14H12O4S
Molar mass
276.31 g/mol
Exact mass
276.0456 Da
logP
2.12Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
38768-08-0
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=CC2=O
InChIKey
AWUMFQREGHLKJB-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h2-10H,1H3

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Work with Tropolone tosylate

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

1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)128544-06-956 % similar p-Toluenesulfonic anhydride4124-41-851 % similar Methyl p-toluenesulfonate80-48-849 % similar [Hydroxy(tosyloxy)iodo]benzene27126-76-748 % similar Ethylene glycol ditosylate6315-52-247 % similar 1,3-Propanediol ditosylate5469-66-945 % similar Ethyl p-toluenesulfonate80-40-045 % similar Benzyl-PEG5-ots129086-10-845 % similar

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

Elsewhere

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