SNY

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Summary

Name:(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
Synonyms:Sinapaldehyde
Formula:C11 H12 O4
Formal charge:0
Molecular weight:208.211 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
OpenEye OEToolkits1.7.0(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C\C=C\c1cc(OC)c(O)c(OC)c1
SMILES_CANONICALCACTVS3.370COc1cc(\C=C\C=O)cc(OC)c1O
SMILESCACTVS3.370COc1cc(C=CC=O)cc(OC)c1O
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1cc(cc(c1O)OC)/C=C/C=O
SMILESOpenEye OEToolkits1.7.0COc1cc(cc(c1O)OC)C=CC=O
InChIInChI1.03InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
InChIKeyInChI1.03CDICDSOGTRCHMG-ONEGZZNKSA-N
170172
PDB entries from 2020-10-21