Home Sulfos 3-cyanocyclopentyl methanesulfonate, Mixture of diastereomers

3-cyanocyclopentyl methanesulfonate, Mixture of diastereomers

CAS No.:
1418199-72-0
Catalog Number:
AG01DYQT
Molecular Formula:
C7H11NO3S
Molecular Weight:
189.2321
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Product Description
Catalog Number:
AG01DYQT
Chemical Name:
3-cyanocyclopentyl methanesulfonate, Mixture of diastereomers
CAS Number:
1418199-72-0
Molecular Formula:
C7H11NO3S
Molecular Weight:
189.2321
MDL Number:
MFCD28363134
IUPAC Name:
(3-cyanocyclopentyl) methanesulfonate
InChI:
InChI=1S/C7H11NO3S/c1-12(9,10)11-7-3-2-6(4-7)5-8/h6-7H,2-4H2,1H3
InChI Key:
XROHJOPZLVFKCM-UHFFFAOYSA-N
SMILES:
N#CC1CCC(C1)OS(=O)(=O)C
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.229g/mol
Monoisotopic Mass:
189.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties