chempirical

Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-

C16H14O7CAS 1246616-66-9318.28 g/mol

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Properties

Molecular formula
C16H14O7
Molar mass
318.28 g/mol
Exact mass
318.0740 Da
logP
1.79Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
5

Identifiers

CAS number
1246616-66-9
SMILES
COC(=O)C1=COC(=C(C1=O)OCC2=CC=CC=C2)C(=O)OC
InChIKey
REVROVKRCYLCAT-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O7/c1-20-15(18)11-9-23-14(16(19)21-2)13(12(11)17)22-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

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Names and synonyms

1 names
  • Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-dicarboxylate

Work with Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-

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

Nequinate13997-19-846 % similar Dimethyl phthalate131-11-341 % similar Benzyl phthalate523-31-940 % similar 3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid119736-16-240 % similar Methyl 1-(2,3-dihydroxypropyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylate1206102-07-940 % similar 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester1229006-21-639 % similar Methyl 2-ethoxybenzoate3686-55-338 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-538 % similar

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

Elsewhere

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