Home Carboxys 3-fluoro-1,1-dioxo-1lambda6-thiolane-3-carboxylic acid

3-fluoro-1,1-dioxo-1lambda6-thiolane-3-carboxylic acid

CAS No.:
1783602-21-0
Catalog Number:
AG01BUQA
Molecular Formula:
C5H7FO4S
Molecular Weight:
182.1701
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Product Description
Catalog Number:
AG01BUQA
Chemical Name:
3-fluoro-1,1-dioxo-1lambda6-thiolane-3-carboxylic acid
CAS Number:
1783602-21-0
Molecular Formula:
C5H7FO4S
Molecular Weight:
182.1701
MDL Number:
MFCD28554324
IUPAC Name:
3-fluoro-1,1-dioxothiolane-3-carboxylic acid
InChI:
InChI=1S/C5H7FO4S/c6-5(4(7)8)1-2-11(9,10)3-5/h1-3H2,(H,7,8)
InChI Key:
PNGVBYRYXMAKKG-UHFFFAOYSA-N
SMILES:
OC(=O)C1(F)CCS(=O)(=O)C1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.005g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.165g/mol
Monoisotopic Mass:
182.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties