chempirical

1,4-Phenylene dipropanoate

C12H14O4CAS 7402-28-0222.24 g/mol

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Ester

Properties

Molecular formula
C12H14O4
Molar mass
222.24 g/mol
Exact mass
222.0892 Da
logP
2.32Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

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
7402-28-0
SMILES
CCC(=O)OC1=CC=C(C=C1)OC(=O)CC
InChIKey
HGXJNYNUTHMEOS-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O4/c1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2/h5-8H,3-4H2,1-2H3

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Names and synonyms

1 names
  • 1,4-Dipropionyloxybenzene

Work with 1,4-Phenylene dipropanoate

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-(1-Oxopropoxy)benzaldehyde50262-48-172 % similar Alpha-naphthyl propionate3121-71-952 % similar Propionic anhydride123-62-650 % similar Diphenyl succinate621-14-750 % similar 4-Methylphenyl octanoate59558-23-547 % similar p-Cresyl isovalerate55066-56-347 % similar Benzyl propionate122-63-447 % similar 4-Ethylphenyl acetate3245-23-647 % similar

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

Same formula

Diglycidyl resorcinol ether101-90-6 Monobutyl phthalate131-70-4 Isobutavan20665-85-4 5-tert-Butylisophthalic acid2359-09-3 1,4-Bis(2,3-epoxypropoxy)benzene2425-01-6 2-Oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl Methacrylate254900-07-7 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester27834-99-7 Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate2881-83-6

Elsewhere

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