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4HM

Summary
Name:4-HYDROPEROXY-2-METHOXY-PHENOL
Formula:C7 H8 O4
Formal charge:0
Formula weight:156.136 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-hydroperoxy-2-methoxyphenol
OpenEye OEToolkits1.5.04-hydroperoxy-2-methoxy-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1ccc(OO)cc1OC
SMILES_CANONICALCACTVS3.341COc1cc(OO)ccc1O
SMILESCACTVS3.341COc1cc(OO)ccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(ccc1O)OO
SMILESOpenEye OEToolkits1.5.0COc1cc(ccc1O)OO
InChIInChI1.03InChI=1S/C7H8O4/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4,8-9H,1H3
InChIKeyInChI1.03DNBCLSZROQUYQN-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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