Home Sulfos 2-(1-methanesulfonylpiperidin-4-yl)acetic acid

2-(1-methanesulfonylpiperidin-4-yl)acetic acid

CAS No.:
423722-27-4
Catalog Number:
AG01AN7N
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
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Product Description
Catalog Number:
AG01AN7N
Chemical Name:
2-(1-methanesulfonylpiperidin-4-yl)acetic acid
CAS Number:
423722-27-4
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
MDL Number:
MFCD11585618
IUPAC Name:
2-(1-methylsulfonylpiperidin-4-yl)acetic acid
InChI:
InChI=1S/C8H15NO4S/c1-14(12,13)9-4-2-7(3-5-9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChI Key:
OBQRJDKKTBFCTK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCN(CC1)S(=O)(=O)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.271g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties