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Home > Other Heterocycles > 159555-66-5
159555-66-5 | 6-Oxa-3-azabicyclo[3.1.0]hexane, 3-[(4-methylphenyl)sulfonyl]-
CAS No: 159555-66-5 Catalog No: AG001R5Q MDL No:MFCD22575028
Product Description
Catalog Number:
AG001R5Q
Chemical Name:
6-Oxa-3-azabicyclo[3.1.0]hexane, 3-[(4-methylphenyl)sulfonyl]-
CAS Number:
159555-66-5
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD22575028
IUPAC Name:
3-(4-methylphenyl)sulfonyl-6-oxa-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C11H13NO3S/c1-8-2-4-9(5-3-8)16(13,14)12-6-10-11(7-12)15-10/h2-5,10-11H,6-7H2,1H3
InChI Key:
SCYGCDFRJNHFNV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2C(C1)O2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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