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SN1

Summary
Name:2,4-DIHYDROXY-TRANS CINNAMIC ACID
Formula:C9 H8 O4
Formal charge:0
Formula weight:180.157 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)/C=C/c1ccc(O)cc1O
SMILES_CANONICALCACTVS3.341OC(=O)\C=C\c1ccc(O)cc1O
SMILESCACTVS3.341OC(=O)C=Cc1ccc(O)cc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1O)O)\C=C\C(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1O)O)C=CC(=O)O
InChIInChI1.03InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKeyInChI1.03HGEFWFBFQKWVMY-DUXPYHPUSA-N

217705

PDB entries from 2024-03-27

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