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33522-04-2 | CYCLOOCTYL ISOTHIOCYANATE
CAS No: 33522-04-2 Catalog No: AG003P5Z MDL No:MFCD00040882
Product Description
Catalog Number:
AG003P5Z
Chemical Name:
CYCLOOCTYL ISOTHIOCYANATE
CAS Number:
33522-04-2
MDL Number:
MFCD00040882
IUPAC Name:
isothiocyanatocyclooctane
InChI:
InChI=1S/C9H15NS/c11-8-10-9-6-4-2-1-3-5-7-9/h9H,1-7H2
InChI Key:
MHPKAOOPCYGVPY-UHFFFAOYSA-N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.093g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.286g/mol
Monoisotopic Mass:
169.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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