chempirical

1,3-Dimethyl 2-[(4-methoxyphenyl)methylene]propanedioate

C13H14O5CAS 7443-25-6250.25 g/mol

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AlkeneEsterEther

Properties

Molecular formula
C13H14O5
Molar mass
250.25 g/mol
Exact mass
250.0841 Da
Melting point
45 °C
Boiling point
144–145 °C (at 0.17 Torr)
logP
1.42Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
7443-25-6
SMILES
COC(=O)C(=Cc1ccc(OC)cc1)C(=O)OC
InChIKey
JMFYZMAVUHNCPW-UHFFFAOYSA-N
InChI
InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3

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Names and synonyms

15 names · show all
  • Propanedioic acid, 2-[(4-methoxyphenyl)methylene]-, 1,3-dimethyl ester
  • Malonic acid, (p-methoxybenzylidene)-, dimethyl ester
  • Propanedioic acid, [(4-methoxyphenyl)methylene]-, dimethyl ester
  • Cyasorb UV 1988
  • Dimethyl (p-methoxybenzylidene)malonate
  • p-Methoxybenzylidenemalonic acid dimethyl ester
  • Dimethyl 4-methoxybenzylidenemalonate
  • Sanduvor PR 25
  • NSC 306435
  • [(4-Methoxyphenyl)methylene]malonic acid dimethyl ester
  • Hostavin PR 25
  • PR 25
  • Hostavin BRE 25
  • Dimethyl 2-(p-methoxybenzylidene)malonate
  • Chisorb 2025

Work with 1,3-Dimethyl 2-[(4-methoxyphenyl)methylene]propanedioate

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

Methyl 4-methoxycinnamate832-01-953 % similar Methyl anisate121-98-247 % similar 4-Anisaldehyde123-11-547 % similar 4,4′-Dimethoxychalcone2373-89-946 % similar 4-Methoxycinnamic acid830-09-145 % similar trans-4-Methoxycinnamic acid943-89-545 % similar Resveratrol trimethyl ether22255-22-744 % similar Methyl 4-methoxybenzeneacetate23786-14-344 % similar

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

Same formula

1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone24085-06-1 Citrinin518-75-2

Elsewhere

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