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Home > Other Heterocycles > 1412433-64-7
1412433-64-7 | 8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-one
CAS No: 1412433-64-7 Catalog No: AG01BIYM MDL No:MFCD24531445
Product Description
Catalog Number:
AG01BIYM
Chemical Name:
8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-one
CAS Number:
1412433-64-7
Molecular Formula:
C8H13NO3S
Molecular Weight:
203.2587
MDL Number:
MFCD24531445
IUPAC Name:
8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C8H13NO3S/c1-13(11,12)9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
InChI Key:
NIHTWNYVIFCTAN-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(C1)N2S(=O)(=O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.256g/mol
Monoisotopic Mass:
203.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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