Home Carboxys 1,1-dioxo-1lambda6-thiane-2-carboxylic acid

1,1-dioxo-1lambda6-thiane-2-carboxylic acid

CAS No.:
1318758-58-5
Catalog Number:
AG019ZV9
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
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Product Description
Catalog Number:
AG019ZV9
Chemical Name:
1,1-dioxo-1lambda6-thiane-2-carboxylic acid
CAS Number:
1318758-58-5
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
MDL Number:
MFCD22391976
IUPAC Name:
1,1-dioxothiane-2-carboxylic acid
InChI:
InChI=1S/C6H10O4S/c7-6(8)5-3-1-2-4-11(5,9)10/h5H,1-4H2,(H,7,8)
InChI Key:
AEIPFFMFODEYLP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCS1(=O)=O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.202g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties