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Home > Other Heterocycles > 83371-67-9
83371-67-9 | 2-Thiabicyclo[2.2.2]oct-5-ene-4-carbonitrile, 3-(hydroxyimino)-1-methyl-
CAS No: 83371-67-9 Catalog No: AG005513 MDL No:
Product Description
Catalog Number:
AG005513
Chemical Name:
2-Thiabicyclo[2.2.2]oct-5-ene-4-carbonitrile, 3-(hydroxyimino)-1-methyl-
CAS Number:
83371-67-9
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
IUPAC Name:
3-hydroxyimino-1-methyl-2-thiabicyclo[2.2.2]oct-5-ene-4-carbonitrile
InChI:
InChI=1S/C9H10N2OS/c1-8-2-4-9(6-10,5-3-8)7(11-12)13-8/h2,4,12H,3,5H2,1H3
InChI Key:
TZFNBVVEKQNZGS-UHFFFAOYSA-N
SMILES:
CC12CCC(C(=NO)S1)(C=C2)C#N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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