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Home > Other Heterocycles > 83369-31-7
83369-31-7 | 2-Thiabicyclo[2.2.2]octan-3-one, 5,6-dimethoxy-, oxime
CAS No: 83369-31-7 Catalog No: AG005518 MDL No:
Product Description
Catalog Number:
AG005518
Chemical Name:
2-Thiabicyclo[2.2.2]octan-3-one, 5,6-dimethoxy-, oxime
CAS Number:
83369-31-7
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
IUPAC Name:
N-(5,6-dimethoxy-2-thiabicyclo[2.2.2]octan-3-ylidene)hydroxylamine
InChI:
InChI=1S/C9H15NO3S/c1-12-7-5-3-4-6(8(7)13-2)14-9(5)10-11/h5-8,11H,3-4H2,1-2H3
InChI Key:
QYRXYUDMPMENOH-UHFFFAOYSA-N
SMILES:
COC1C2CCC(C1OC)C(=NO)S2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.283g/mol
Monoisotopic Mass:
217.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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