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Home > Other Heterocycles > 85237-40-7
85237-40-7 | Bicyclo[2.2.1]heptan-2-one,1-[[[(dihydroxybismuthino)oxy]sulfonyl]methyl]-7,7-dimethyl-, (1S)- (9CI)
CAS No: 85237-40-7 Catalog No: AG004PU5 MDL No:
Product Description
Catalog Number:
AG004PU5
Chemical Name:
Bicyclo[2.2.1]heptan-2-one,1-[[[(dihydroxybismuthino)oxy]sulfonyl]methyl]-7,7-dimethyl-, (1S)- (9CI)
CAS Number:
85237-40-7
Molecular Formula:
C10H17BiO6S
Molecular Weight:
474.2838
IUPAC Name:
[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyloxybismuth;dihydrate
InChI:
InChI=1S/C10H16O4S.Bi.2H2O/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;;;/h7H,3-6H2,1-2H3,(H,12,13,14);;2*1H2/q;+1;;/p-1/t7?,10-;;;/m1.../s1
InChI Key:
YDIBPEOOQWQBTB-XWKBRMAXSA-M
SMILES:
O[Bi](OS(=O)(=O)C[C@]12CCC(C2(C)C)CC1=O)O
EC Number:
286-399-4
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
476.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
476.296g/mol
Monoisotopic Mass:
476.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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