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Home > Other Heterocycles > 918954-51-5
918954-51-5 | 6-Oxa-3-azabicyclo[3.1.0]hexane, 1-methyl-3-[(4-methylphenyl)sulfonyl]-
CAS No: 918954-51-5 Catalog No: AG006A3C MDL No:
Product Description
Catalog Number:
AG006A3C
Chemical Name:
6-Oxa-3-azabicyclo[3.1.0]hexane, 1-methyl-3-[(4-methylphenyl)sulfonyl]-
CAS Number:
918954-51-5
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
1-methyl-3-(4-methylphenyl)sulfonyl-6-oxa-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H15NO3S/c1-9-3-5-10(6-4-9)17(14,15)13-7-11-12(2,8-13)16-11/h3-6,11H,7-8H2,1-2H3
InChI Key:
WIOGFUFYKCUHPL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2C(C1)(O2)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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