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Home > Imidazoles > 858511-41-8
858511-41-8 | 1H-Imidazole-2-sulfonicacid, 4,5-dihydro-5-oxo-
CAS No: 858511-41-8 Catalog No: AG004O7Z MDL No:
Product Description
Catalog Number:
AG004O7Z
Chemical Name:
1H-Imidazole-2-sulfonicacid, 4,5-dihydro-5-oxo-
CAS Number:
858511-41-8
Molecular Formula:
C3H4N2O4S
Molecular Weight:
164.1399
IUPAC Name:
5-oxo-1,4-dihydroimidazole-2-sulfonic acid
InChI:
InChI=1S/C3H4N2O4S/c6-2-1-4-3(5-2)10(7,8)9/h1H2,(H,4,5,6)(H,7,8,9)
InChI Key:
POHGTXMETAOFGI-UHFFFAOYSA-N
SMILES:
O=C1CN=C(N1)S(=O)(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.135g/mol
Monoisotopic Mass:
163.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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