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dipotassium benzene-1,2-disulfonate
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ChemBase ID:
149255
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Molecular Formular:
C6H4K2O6S2
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Molecular Mass:
314.41896
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Monoisotopic Mass:
313.87234321
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SMILES and InChIs
SMILES:
c1ccc(c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
Canonical SMILES:
[O-]S(=O)(=O)c1ccccc1S(=O)(=O)[O-].[K+].[K+]
InChI:
InChI=1S/C6H6O6S2.2K/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
InChIKey:
WUERIJJOLNKVMO-UHFFFAOYSA-L
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Cite this record
CBID:149255 http://www.chembase.cn/molecule-149255.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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dipotassium benzene-1,2-disulfonate
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IUPAC Traditional name
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dipotassium benzene-1,2-disulfonate
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Synonyms
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Benzene-1,2-disulfonic acid dipotassium salt
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Potassium benzene-1,2-disulfonate
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苯-1,2-二磺酸 二钾盐
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苯-1,2-二磺酸钾
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-3.2974763
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H Acceptors
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6
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H Donor
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0
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LogD (pH = 5.5)
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-4.417737
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LogD (pH = 7.4)
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-4.4177384
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Log P
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0.33505926
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Molar Refractivity
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45.0596 cm3
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Polarizability
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19.59482 Å3
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Polar Surface Area
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114.4 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent