CIY

(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal

Created:2010-10-25
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of CIY

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Chemical Component Summary

Name(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
SynonymsConiferaldehyde
Systematic Name (OpenEye OEToolkits)(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal
FormulaC10 H10 O3
Molecular Weight178.185
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C\C=C\c1cc(OC)c(O)cc1
SMILESCACTVS3.370COc1cc(C=CC=O)ccc1O
SMILESOpenEye OEToolkits1.7.0COc1cc(ccc1O)C=CC=O
Canonical SMILESCACTVS3.370 COc1cc(\C=C\C=O)ccc1O
Canonical SMILESOpenEye OEToolkits1.7.0 COc1cc(ccc1O)/C=C/C=O
InChIInChI1.03 InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChIKeyInChI1.03 DKZBBWMURDFHNE-NSCUHMNNSA-N

Related Resource References

Resource NameReference
PubChem 5280536
ChEMBL CHEMBL242529
ChEBI CHEBI:16547
CCDC/CSD SIPKEH