A0O

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Summary

Name:7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Formula:C15 H16 O3
Formal charge:0
Molecular weight:244.286 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.67-methoxy-8-(3-methylbut-2-enyl)chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKeyInChI1.03MBRLOUHOWLUMFF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2C=CC(=O)Oc2c1CC=C(C)C
SMILESCACTVS3.385COc1ccc2C=CC(=O)Oc2c1CC=C(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C
SMILESOpenEye OEToolkits2.0.6CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C