Home Sulfos N-(ethylsulfonyl)-beta-alanine

N-(ethylsulfonyl)-beta-alanine

CAS No.:
923249-33-6
Catalog Number:
AG00ITVQ
Molecular Formula:
C5H11NO4S
Molecular Weight:
181.2101
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ITVQ
Chemical Name:
N-(ethylsulfonyl)-beta-alanine
CAS Number:
923249-33-6
Molecular Formula:
C5H11NO4S
Molecular Weight:
181.2101
MDL Number:
MFCD08444792
IUPAC Name:
3-(ethylsulfonylamino)propanoic acid
InChI:
InChI=1S/C5H11NO4S/c1-2-11(9,10)6-4-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChI Key:
RACHROYYHSGGAW-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)NCCC(=O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.206g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties