0GZ

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Summary

Name:2-oxo-2H-pyran-4,6-dicarboxylic acid
Formula:C7 H4 O6
Formal charge:0
Molecular weight:184.103 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-oxo-2H-pyran-4,6-dicarboxylic acid
OpenEye OEToolkits1.7.66-oxidanylidenepyran-2,4-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1OC(=CC(C(=O)O)=C1)C(=O)O
InChIInChI1.03InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKeyInChI1.03VRMXCPVFSJVVCA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)C1=CC(=CC(=O)O1)C(O)=O
SMILESCACTVS3.370OC(=O)C1=CC(=CC(=O)O1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C1=C(C=C(OC1=O)C(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.6C1=C(C=C(OC1=O)C(=O)O)C(=O)O
167518
PDB entries from 2020-08-12