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DHC

Summary
Name:CAFFEIC ACID
Synonyms:3,4-DIHYDROXYCINNAMIC ACID
Formula:C9 H8 O4
Formal charge:0
Formula weight:180.157 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
OpenEye OEToolkits1.5.0(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)\C=C\c1cc(O)c(O)cc1
SMILES_CANONICALCACTVS3.341OC(=O)\C=C\c1ccc(O)c(O)c1
SMILESCACTVS3.341OC(=O)C=Cc1ccc(O)c(O)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1\C=C\C(=O)O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1C=CC(=O)O)O)O
InChIInChI1.03InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKeyInChI1.03QAIPRVGONGVQAS-DUXPYHPUSA-N

217157

PDB entries from 2024-03-13

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