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Home > Other Heterocycles > 91156-63-7
91156-63-7 | Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-3-thioxo-, oxime
CAS No: 91156-63-7 Catalog No: AG006QBV MDL No:
Product Description
Catalog Number:
AG006QBV
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-3-thioxo-, oxime
CAS Number:
91156-63-7
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
IUPAC Name:
3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
InChI:
InChI=1S/C10H15NOS/c1-9(2)6-4-5-10(9,3)8(13)7(6)11-12/h6,12H,4-5H2,1-3H3
InChI Key:
BOHCUYJHSQESEN-UHFFFAOYSA-N
SMILES:
ON=C1C(=S)C2(C(C1CC2)(C)C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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