Home Carboxys 1,1-dioxo-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-8-carboxylic acid

1,1-dioxo-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-8-carboxylic acid

CAS No.:
2138111-19-8
Catalog Number:
AG01EKR5
Molecular Formula:
C6H7N3O4S
Molecular Weight:
217.2025
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Product Description
Catalog Number:
AG01EKR5
Chemical Name:
1,1-dioxo-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-8-carboxylic acid
CAS Number:
2138111-19-8
Molecular Formula:
C6H7N3O4S
Molecular Weight:
217.2025
MDL Number:
MFCD31559324
IUPAC Name:
1,1-dioxo-3,4-dihydro-2H-pyrazolo[1,5-e][1,2,5]thiadiazine-8-carboxylic acid
InChI:
InChI=1S/C6H7N3O4S/c10-6(11)4-3-7-9-2-1-8-14(12,13)5(4)9/h3,8H,1-2H2,(H,10,11)
InChI Key:
KOGMYSFTCYGILZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn2c1S(=O)(=O)NCC2
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.016g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.199g/mol
Monoisotopic Mass:
217.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties