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2OH

Summary
Name:4,4'-PROPANE-2,2-DIYLDIPHENOL
Synonyms:4,4'-ISOPROPYLIDENEDIPHENOL
BISPHENOL A
Formula:C15 H16 O2
Formal charge:0
Formula weight:228.286 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044,4'-propane-2,2-diyldiphenol
OpenEye OEToolkits1.5.04-[2-(4-hydroxyphenyl)propan-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C
SMILES_CANONICALCACTVS3.341CC(C)(c1ccc(O)cc1)c2ccc(O)cc2
SMILESCACTVS3.341CC(C)(c1ccc(O)cc1)c2ccc(O)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
SMILESOpenEye OEToolkits1.5.0CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
InChIInChI1.03InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChIKeyInChI1.03IISBACLAFKSPIT-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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