COU

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Summary

Name:COUMARIN
Synonyms:2H-1-BENZOPYRAN-2-ONE
Formula:C9 H6 O2
Formal charge:0
Molecular weight:146.143 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042H-chromen-2-one
OpenEye OEToolkits1.5.0chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2Oc1ccccc1C=C2
SMILES_CANONICALCACTVS3.341O=C1Oc2ccccc2C=C1
SMILESCACTVS3.341O=C1Oc2ccccc2C=C1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)C=CC(=O)O2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C=CC(=O)O2
InChIInChI1.03InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyInChI1.03ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
170383
PDB entries from 2020-10-28