93V

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Summary

Name:2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
Formula:C13 H10 O6
Formal charge:0
Molecular weight:262.215 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
OpenEye OEToolkits2.0.62-(4-methoxyphenyl)furan-3,4-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(O)(c2c(c1ccc(cc1)OC)occ2C(=O)O)=O
InChIInChI1.03InChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyInChI1.03QPGWVRKHYHUXOV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)c2occ(C(O)=O)c2C(O)=O
SMILESCACTVS3.385COc1ccc(cc1)c2occ(C(O)=O)c2C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O
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