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13774-25-9 molecular structure
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magnesium(2+) ion dihydrogen sulfite

ChemBase ID: 137202
Molecular Formular: H2MgO6S2
Molecular Mass: 186.44728
Monoisotopic Mass: 185.91432148
SMILES and InChIs

SMILES:
OS(=O)[O-].OS(=O)[O-].[Mg+2]
Canonical SMILES:
[O-]S(=O)O.[O-]S(=O)O.[Mg+2]
InChI:
InChI=1S/Mg.2H2O3S/c;2*1-4(2)3/h;2*(H2,1,2,3)/q+2;;/p-2
InChIKey:
LPHFLPKXBKBHRW-UHFFFAOYSA-L

Cite this record

CBID:137202 http://www.chembase.cn/molecule-137202.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
magnesium(2+) ion dihydrogen sulfite
IUPAC Traditional name
magnesium(2+) ion dibisulfite
Synonyms
Magnesium hydrogen sulfite
Magnesium bisulfite solution
酸式亚硫酸镁
亚硫酸氢镁 溶液
CAS Number
13774-25-9
EC Number
237-403-8
MDL Number
MFCD00192256
PubChem SID
162231467
24864731
PubChem CID
10130272

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
398233 external link Add to cart Please log in.
Data Source Data ID
PubChem 10130272 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.69897  H Acceptors
H Donor LogD (pH = 5.5) -3.4536884 
LogD (pH = 7.4) -3.810975  Log P -1.1546873 
Molar Refractivity 11.2062 cm3 Polarizability 5.44399 Å3
Polar Surface Area 60.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Density
1.22 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2693 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
23-26-27-36/37/39-45 expand Show data source
RID/ADR
UN 2693 8/PG 3 expand Show data source
Concentration
30 wt. % in H2O expand Show data source
Linear Formula
Mg(HSO3)2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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