Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

SS2

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

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(c1ccccc1)C
SMILES_CANONICALCACTVS3.341C[C@@H](O)c1ccccc1
SMILESCACTVS3.341C[CH](O)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](c1ccccc1)O
SMILESOpenEye OEToolkits1.5.0CC(c1ccccc1)O
InChIInChI1.03InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChIKeyInChI1.03WAPNOHKVXSQRPX-SSDOTTSWSA-N

222036

数据于2024-07-03公开中

PDB statisticsPDBj update infoContact PDBjnumon