Home Sulfos 5-methanesulfonyl-2-propylpentanoic acid

5-methanesulfonyl-2-propylpentanoic acid

CAS No.:
1341347-14-5
Catalog Number:
AG01BFYO
Molecular Formula:
C9H18O4S
Molecular Weight:
222.3018
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Product Description
Catalog Number:
AG01BFYO
Chemical Name:
5-methanesulfonyl-2-propylpentanoic acid
CAS Number:
1341347-14-5
Molecular Formula:
C9H18O4S
Molecular Weight:
222.3018
MDL Number:
MFCD18286295
IUPAC Name:
5-methylsulfonyl-2-propylpentanoic acid
InChI:
InChI=1S/C9H18O4S/c1-3-5-8(9(10)11)6-4-7-14(2,12)13/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key:
LJOHFKJLNBRWDW-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)CCCS(=O)(=O)C
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.093g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.299g/mol
Monoisotopic Mass:
222.093g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties