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144512-00-5 | 4-Hexyn-1-ol, 6-(phenylthio)-
CAS No: 144512-00-5 Catalog No: AG001JOG MDL No:
Product Description
Catalog Number:
AG001JOG
Chemical Name:
4-Hexyn-1-ol, 6-(phenylthio)-
CAS Number:
144512-00-5
Molecular Formula:
C12H14OS
Molecular Weight:
206.3040
IUPAC Name:
6-phenylsulfanylhex-4-yn-1-ol
InChI:
InChI=1S/C12H14OS/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9,13H,1,6,10-11H2
InChI Key:
WHUWZSSBEZHJDB-UHFFFAOYSA-N
SMILES:
OCCCC#CCSc1ccccc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.303g/mol
Monoisotopic Mass:
206.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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