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1909294-77-4 | rac-(1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
CAS No: 1909294-77-4 Catalog No: AG01C2J5 MDL No:
Product Description
Catalog Number:
AG01C2J5
Chemical Name:
rac-(1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
CAS Number:
1909294-77-4
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
IUPAC Name:
(1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
InChI:
InChI=1S/C6H11NO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+,6-/m1/s1
InChI Key:
GJJRBQXKNGFCRJ-NGJCXOISSA-N
SMILES:
NS(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1CC2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
177.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.218g/mol
Monoisotopic Mass:
177.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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