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102438-50-6 | 5-Hexen-1-ol, 6-(phenylthio)-, (5E)-
CAS No: 102438-50-6 Catalog No: AG0007HY MDL No:
Product Description
Catalog Number:
AG0007HY
Chemical Name:
5-Hexen-1-ol, 6-(phenylthio)-, (5E)-
CAS Number:
102438-50-6
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
6-phenylsulfanylhex-5-en-1-ol
InChI:
InChI=1S/C12H16OS/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,7-9,11,13H,1-2,6,10H2
InChI Key:
CLSMHDGBIHIASZ-UHFFFAOYSA-N
SMILES:
OCCCC/C=C/Sc1ccccc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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