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SS1

Summary
Name:1-PHENYLETHANOL
Synonyms:(1S)-1-PHENYL-ETHANOL
Formula:C8 H10 O
Formal charge:0
Formula weight:122.164 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S)-1-phenylethanol
OpenEye OEToolkits1.5.0(1S)-1-phenylethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(c1ccccc1)C
InChIInChI1.03InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKeyInChI1.03WAPNOHKVXSQRPX-ZETCQYMHSA-N
SMILES_CANONICALCACTVS3.385C[C@H](O)c1ccccc1
SMILESCACTVS3.385C[CH](O)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.5C[C@@H](c1ccccc1)O
SMILESOpenEye OEToolkits1.7.5CC(c1ccccc1)O

217705

PDB entries from 2024-03-27

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