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1-Phenylethanol, (S)-

PubChem CID: 443135

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Compound Synonyms (S)-1-Phenylethanol, 1445-91-6, (S)-(-)-1-Phenylethanol, (1S)-1-phenylethanol, (1S)-1-Phenylethan-1-Ol, 1-Phenylethanol, (S)-, (S)-(-)-phenylethanol, (S)-1-phenylethan-1-ol, (s)-1-phenyl-ethanol, (S)-1-Phenethyl alcohol, 2MIC4QLY2X, (s)-1-phenyl-1-ethanol, Benzenemethanol, a-methyl-, (aS)-, (-)-Methyl phenyl carbinol, Benzenemethanol, .alpha.-methyl-, (.alpha.S)-, (S)-alpha-methylbenzenemethanol, CHEBI:16346, (-)-1-phenylethanol, (S)-(-)-sec-Phenethyl Alcohol, (S)-(-)-1-Phenylethyl Alcohol, MFCD00064264, S-1-PHENYLETHANOL, (-)-sec-phenethyl alcohol, Benzenemethanol, alpha-methyl-, (S)-, (S)-1-Phenylethyl alcohol, Benzenemethanol, .alpha.-methyl-, (S)-, (S)-PHENYLMETHYLCARBINOL, DTXSID4073259, 1-PHENYLETHANOL, (-)-, (-)-.ALPHA.-PHENYLETHANOL, (-)-1-PHENYL-1-ETHANOL, (-)-1-PHENYLETHYL ALCOHOL, (-)-(S)-1-PHENYLETHANOL, (S)-(-)-alpha-Methylbenzyl alcohol, (-)-.ALPHA.-PHENETHYL ALCOHOL, [S]-1-phenylethanol, (-)-.ALPHA.-METHYLBENZYL ALCOHOL, Benzenemethanol, alpha-methyl-, (alphaS)-, 1-Phenylethanol #, UNII-2MIC4QLY2X, (1S)-1-PHENYL-ETHANOL, (S)-phenylethanol, (S)1Phenylethanol, SCHEMBL7144, 1-phenyl-(1S)-ethan-1-ol, CHEMBL348446, (-)-ALPHA-PHENYLETHANOL, DTXCID2034702, Benzenemethanol, alphamethyl, (S), (-)-ALPHA-PHENETHYL ALCOHOL, HY-78093A, s3365, (S)-(-)-1-Phenylethanol, 97%, AKOS016842975, (-)-ALPHA-METHYLBENZYL ALCOHOL, Benzenemethanol, alphamethyl, (alphaS), AS-13396, BP-10717, SS1, DB-009378, CS-0007824, NS00095828, P0796, EN300-87752, F13077, (S)-(-)-1-Phenylethanol, for chiral derivatization, doi:10.14272/WAPNOHKVXSQRPX-ZETCQYMHSA-N.1, Q26841260, Z360055168, (S)-(-)-1-Phenylethanol, >=98.5% (sum of enantiomers, GC), (S)-(-)-1-Phenylethanol, for chiral derivatization, >=99.0%, (S)-(-)-1-Phenylethanol, ChiPros(R), produced by BASF, 98%, 604-424-2
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 9.0
Isotope Atom Count 0.0
Molecular Complexity 74.6
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P17988
Iupac Name (1S)-1-phenylethanol
Prediction Hob 1.0
Xlogp 1.4
Molecular Formula C8H10O
Prediction Swissadme 0.0
Inchi Key WAPNOHKVXSQRPX-ZETCQYMHSA-N
Fcsp3 0.25
Logs -0.801
Rotatable Bond Count 1.0
Logd 1.233
Compound Name 1-Phenylethanol, (S)-
Prediction Hob Swissadme 0.0
Exact Mass 122.073
Formal Charge 0.0
Monoisotopic Mass 122.073
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 122.16
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -1.9193687333333331
Inchi InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
Smiles C[C@@H](C1=CC=CC=C1)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

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