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Summary

Name:1,3-benzodioxole-5-carboxylic acid
Synonyms:benzo[d][1,3]dioxole-5-carboxylic acid
Formula:C8 H6 O4
Formal charge:0
Molecular weight:166.131 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,3-benzodioxole-5-carboxylic acid
OpenEye OEToolkits1.7.61,3-benzodioxole-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc2OCOc2c1
InChIInChI1.03InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
InChIKeyInChI1.03VDVJGIYXDVPQLP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc2OCOc2c1
SMILESCACTVS3.370OC(=O)c1ccc2OCOc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cc1C(=O)O)OCO2
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1C(=O)O)OCO2