Home Sulfos 2-(oxolan-2-ylmethanesulfonyl)acetic acid

2-(oxolan-2-ylmethanesulfonyl)acetic acid

CAS No.:
933710-43-1
Catalog Number:
AG01AA48
Molecular Formula:
C7H12O5S
Molecular Weight:
208.2322
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Product Description
Catalog Number:
AG01AA48
Chemical Name:
2-(oxolan-2-ylmethanesulfonyl)acetic acid
CAS Number:
933710-43-1
Molecular Formula:
C7H12O5S
Molecular Weight:
208.2322
IUPAC Name:
2-(oxolan-2-ylmethylsulfonyl)acetic acid
InChI:
InChI=1S/C7H12O5S/c8-7(9)5-13(10,11)4-6-2-1-3-12-6/h6H,1-5H2,(H,8,9)
InChI Key:
YWSPLXMXPITWRH-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)CC1CCCO1
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.041g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.228g/mol
Monoisotopic Mass:
208.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties