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9UU

Summary
Name:1-(4-hydroxyphenyl)pyrrole-2,5-dione
Formula:C10 H7 N O3
Formal charge:0
Formula weight:189.167 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-(4-hydroxyphenyl)pyrrole-2,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InChIKeyInChI1.06BLLFPKZTBLMEFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)N2C(=O)C=CC2=O
SMILESCACTVS3.385Oc1ccc(cc1)N2C(=O)C=CC2=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1N2C(=O)C=CC2=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1N2C(=O)C=CC2=O)O

227344

数据于2024-11-13公开中

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