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13021-40-4 | 5-Cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, potassium salt (1:2)
CAS No: 13021-40-4 Catalog No: AG000U5K MDL No:MFCD00001649
Product Description
Catalog Number:
AG000U5K
Chemical Name:
5-Cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, potassium salt (1:2)
CAS Number:
13021-40-4
Molecular Formula:
C6H2K2O6
Molecular Weight:
248.2731
MDL Number:
MFCD00001649
IUPAC Name:
dipotassium;3,4,5,6-tetraoxocyclohexene-1,2-diolate
InChI:
InChI=1S/C6H2O6.2K/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;/q;2*+1/p-2
InChI Key:
NEWIILAQDSMNML-UHFFFAOYSA-L
SMILES:
OC1=C(O)C(=O)C(=O)C(=O)C1=O.[K].[K]
EC Number:
235-881-2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.897g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.257g/mol
Monoisotopic Mass:
245.897g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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