N36

3-ethoxy-4-hydroxybenzaldehyde

Created:2022-03-23
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count22
Aromatic Bond Count6
2D diagram of N36

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Chemical Component Summary

Name3-ethoxy-4-hydroxybenzaldehyde
SynonymsEthyl vanillin
Systematic Name (OpenEye OEToolkits)3-ethoxy-4-oxidanyl-benzaldehyde
FormulaC9 H10 O3
Molecular Weight166.174
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCOc1cc(ccc1O)C=O
SMILESCACTVS3.385CCOc1cc(C=O)ccc1O
SMILESOpenEye OEToolkits2.0.7CCOc1cc(ccc1O)C=O
Canonical SMILESCACTVS3.385 CCOc1cc(C=O)ccc1O
Canonical SMILESOpenEye OEToolkits2.0.7 CCOc1cc(ccc1O)C=O
InChIInChI1.03 InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChIKeyInChI1.03 CBOQJANXLMLOSS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 8467
ChEMBL CHEMBL508676
ChEBI CHEBI:48408
CCDC/CSD UHAWIL, ROFZOC
COD 2219566