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89005-19-6 | 2-Propyn-1-ol, 3-(phenylthio)-
CAS No: 89005-19-6 Catalog No: AG0044UR MDL No:
Product Description
Catalog Number:
AG0044UR
Chemical Name:
2-Propyn-1-ol, 3-(phenylthio)-
CAS Number:
89005-19-6
Molecular Formula:
C9H8OS
Molecular Weight:
164.2242
IUPAC Name:
3-phenylsulfanylprop-2-yn-1-ol
InChI:
InChI=1S/C9H8OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,7H2
InChI Key:
KOPBFVZLHIUFBI-UHFFFAOYSA-N
SMILES:
OCC#CSc1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.222g/mol
Monoisotopic Mass:
164.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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