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I75

Summary
Name:1-(4-hydroxy-3-methoxyphenyl)ethanone
Formula:C9 H10 O3
Formal charge:0
Formula weight:166.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-hydroxy-3-methoxyphenyl)ethanone
OpenEye OEToolkits1.7.21-(3-methoxy-4-oxidanyl-phenyl)ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cc(OC)c(O)cc1)C
InChIInChI1.03InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
InChIKeyInChI1.03DFYRUELUNQRZTB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc(ccc1O)C(C)=O
SMILESCACTVS3.370COc1cc(ccc1O)C(C)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CC(=O)c1ccc(c(c1)OC)O
SMILESOpenEye OEToolkits1.7.2CC(=O)c1ccc(c(c1)OC)O

217705

PDB entries from 2024-03-27

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