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Home > Other Heterocycles > 2060045-29-4
2060045-29-4 | 7-(propane-2-sulfonyl)-7-azabicyclo[4.1.0]heptane
CAS No: 2060045-29-4 Catalog No: AG01BZ3W MDL No:MFCD30487757
Product Description
Catalog Number:
AG01BZ3W
Chemical Name:
7-(propane-2-sulfonyl)-7-azabicyclo[4.1.0]heptane
CAS Number:
2060045-29-4
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
MDL Number:
MFCD30487757
IUPAC Name:
7-propan-2-ylsulfonyl-7-azabicyclo[4.1.0]heptane
InChI:
InChI=1S/C9H17NO2S/c1-7(2)13(11,12)10-8-5-3-4-6-9(8)10/h7-9H,3-6H2,1-2H3
InChI Key:
VPKGSEKYZGMXMS-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)N1C2C1CCCC2)C
Properties
Complexity:
279
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:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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