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116453-32-8 | 2-Butanesulfonic acid, 1,4-diamino-1,4-dioxo-
CAS No: 116453-32-8 Catalog No: AG000CJ7 MDL No:
Product Description
Catalog Number:
AG000CJ7
Chemical Name:
2-Butanesulfonic acid, 1,4-diamino-1,4-dioxo-
CAS Number:
116453-32-8
Molecular Formula:
C4H8N2O5S
Molecular Weight:
196.1817
IUPAC Name:
1,4-diamino-1,4-dioxobutane-2-sulfonic acid
InChI:
InChI=1S/C4H8N2O5S/c5-3(7)1-2(4(6)8)12(9,10)11/h2H,1H2,(H2,5,7)(H2,6,8)(H,9,10,11)
InChI Key:
DFQDHMNSUGBBCW-UHFFFAOYSA-N
SMILES:
NC(=O)CC(S(=O)(=O)O)C(=O)N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.177g/mol
Monoisotopic Mass:
196.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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