Home Sulfos 2-[(4-methylpiperidin-1-yl)sulfonyl]acetic acid

2-[(4-methylpiperidin-1-yl)sulfonyl]acetic acid

CAS No.:
1042628-18-1
Catalog Number:
AG01A9IF
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
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Product Description
Catalog Number:
AG01A9IF
Chemical Name:
2-[(4-methylpiperidin-1-yl)sulfonyl]acetic acid
CAS Number:
1042628-18-1
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
MDL Number:
MFCD11107720
IUPAC Name:
2-(4-methylpiperidin-1-yl)sulfonylacetic acid
InChI:
InChI=1S/C8H15NO4S/c1-7-2-4-9(5-3-7)14(12,13)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChI Key:
QKOAUQPJNYVWNY-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)S(=O)(=O)CC(=O)O
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:
0.4  
Properties