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BSV

Summary
Name:(2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
Formula:C14 H14 O4
Formal charge:0
Formula weight:246.259 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
OpenEye OEToolkits2.0.6(~{Z})-4-(5-cyclopropyl-2-methyl-phenyl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(/C(c1c(C)ccc(c1)C2CC2)=O)=C(\C(O)=O)O
InChIInChI1.03InChI=1S/C14H14O4/c1-8-2-3-10(9-4-5-9)6-11(8)12(15)7-13(16)14(17)18/h2-3,6-7,9,16H,4-5H2,1H3,(H,17,18)/b13-7-
InChIKeyInChI1.03ATXCBLFFUXEDGX-QPEQYQDCSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1C(=O)/C=C(O)/C(O)=O)C2CC2
SMILESCACTVS3.385Cc1ccc(cc1C(=O)C=C(O)C(O)=O)C2CC2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1C(=O)C=C(C(=O)O)O)C2CC2

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건을2024-07-17부터공개중

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