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31R

Summary
Name:3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid
Formula:C18 H14 O5
Formal charge:0
Formula weight:310.301 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid
OpenEye OEToolkits1.7.63-(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3
InChIInChI1.03InChI=1S/C18H14O5/c19-15-10-16-14(8-12(15)6-7-17(20)21)13(9-18(22)23-16)11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2,(H,20,21)
InChIKeyInChI1.03ANHFSWPHLAPWBN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O
SMILESCACTVS3.385OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O

222415

数据于2024-07-10公开中

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