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V55

Summary
Name:4-hydroxy-3-methoxybenzaldehyde
Synonyms:p-vanillin
Formula:C8 H8 O3
Formal charge:0
Formula weight:152.147 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-hydroxy-3-methoxybenzaldehyde
OpenEye OEToolkits1.5.04-hydroxy-3-methoxy-benzaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=Cc1cc(OC)c(O)cc1
SMILES_CANONICALCACTVS3.341COc1cc(C=O)ccc1O
SMILESCACTVS3.341COc1cc(C=O)ccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(ccc1O)C=O
SMILESOpenEye OEToolkits1.5.0COc1cc(ccc1O)C=O
InChIInChI1.03InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKeyInChI1.03MWOOGOJBHIARFG-UHFFFAOYSA-N

217157

PDB entries from 2024-03-13

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