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2060029-61-8

2060029-61-8 | 6-(butane-1-sulfonyl)-6-azabicyclo[3.1.0]hexane

CAS No: 2060029-61-8 Catalog No: AG01BZ3M MDL No:MFCD30487747

Product Description

Catalog Number:
AG01BZ3M
Chemical Name:
6-(butane-1-sulfonyl)-6-azabicyclo[3.1.0]hexane
CAS Number:
2060029-61-8
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
MDL Number:
MFCD30487747
IUPAC Name:
6-butylsulfonyl-6-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C9H17NO2S/c1-2-3-7-13(11,12)10-8-5-4-6-9(8)10/h8-9H,2-7H2,1H3
InChI Key:
XRROKTGNNIVNSM-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)N1C2C1CCC2

Properties

Complexity:
271  
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:
4  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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