Home Sulfos N-(Methylsulfonyl)-beta-alanine

N-(Methylsulfonyl)-beta-alanine

CAS No.:
105611-92-5
Catalog Number:
AG008UNC
Molecular Formula:
C4H9NO4S
Molecular Weight:
167.1836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG008UNC
Chemical Name:
N-(Methylsulfonyl)-beta-alanine
CAS Number:
105611-92-5
Molecular Formula:
C4H9NO4S
Molecular Weight:
167.1836
MDL Number:
MFCD06434734
IUPAC Name:
3-(methanesulfonamido)propanoic acid
InChI:
InChI=1S/C4H9NO4S/c1-10(8,9)5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChI Key:
WWQSOJVZBSHWEE-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)C
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.179g/mol
Monoisotopic Mass:
167.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties