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Home > Other Heterocycles > 83370-35-8
83370-35-8 | 2-Thiabicyclo[2.2.2]octane-4-carbonitrile, 3-(hydroxyimino)-
CAS No: 83370-35-8 Catalog No: AG004W5B MDL No:
Product Description
Catalog Number:
AG004W5B
Chemical Name:
2-Thiabicyclo[2.2.2]octane-4-carbonitrile, 3-(hydroxyimino)-
CAS Number:
83370-35-8
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
IUPAC Name:
3-hydroxyimino-2-thiabicyclo[2.2.2]octane-4-carbonitrile
InChI:
InChI=1S/C8H10N2OS/c9-5-8-3-1-6(2-4-8)12-7(8)10-11/h6,11H,1-4H2
InChI Key:
FEHQNLLYOOUKJG-UHFFFAOYSA-N
SMILES:
ON=C1SC2CCC1(CC2)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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