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Home > Other Heterocycles > 122080-99-3
122080-99-3 | 3-Azabicyclo[3.2.0]heptan-6-one, 3-[(4-methylphenyl)sulfonyl]-
CAS No: 122080-99-3 Catalog No: AG0016PX MDL No:MFCD12911657
Product Description
Catalog Number:
AG0016PX
Chemical Name:
3-Azabicyclo[3.2.0]heptan-6-one, 3-[(4-methylphenyl)sulfonyl]-
CAS Number:
122080-99-3
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
MDL Number:
MFCD12911657
IUPAC Name:
3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-one
InChI:
InChI=1S/C13H15NO3S/c1-9-2-4-11(5-3-9)18(16,17)14-7-10-6-13(15)12(10)8-14/h2-5,10,12H,6-8H2,1H3
InChI Key:
MTXWWLRSSOSHIC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2C(C1)CC2=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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