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Home > Other Heterocycles > 2059944-52-2
2059944-52-2 | 7-(propane-1-sulfonyl)-7-azabicyclo[4.1.0]heptane
CAS No: 2059944-52-2 Catalog No: AG01BZ3U MDL No:MFCD30487755
Product Description
Catalog Number:
AG01BZ3U
Chemical Name:
7-(propane-1-sulfonyl)-7-azabicyclo[4.1.0]heptane
CAS Number:
2059944-52-2
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
MDL Number:
MFCD30487755
IUPAC Name:
7-propylsulfonyl-7-azabicyclo[4.1.0]heptane
InChI:
InChI=1S/C9H17NO2S/c1-2-7-13(11,12)10-8-5-3-4-6-9(8)10/h8-9H,2-7H2,1H3
InChI Key:
YXEVQRTXTDHIIL-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)N1C2C1CCCC2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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