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IJV

Summary
Name:3,5-dimethoxy-4-oxidanyl-benzaldehyde
Synonyms:Syringaldehyde
Formula:C9 H10 O4
Formal charge:0
Formula weight:182.173 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73,5-dimethoxy-4-oxidanyl-benzaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
InChIKeyInChI1.06KCDXJAYRVLXPFO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(C=O)cc(OC)c1O
SMILESCACTVS3.385COc1cc(C=O)cc(OC)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(cc(c1O)OC)C=O
SMILESOpenEye OEToolkits2.0.7COc1cc(cc(c1O)OC)C=O

222415

PDB entries from 2024-07-10

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