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12141-67-2 molecular structure
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nonatungsten(6+) ion hexasodium tris(dioxotungstenbis(olate)) heptacosaoxidandiide

ChemBase ID: 303094
Molecular Formular: Na6O39W12
Molecular Mass: 2967.99522
Monoisotopic Mass: 2969.15145787
SMILES and InChIs

SMILES:
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6]
Canonical SMILES:
[Na+].[Na+].[Na+].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[W+6].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChI:
InChI=1S/6Na.39O.12W/q6*+1;;;;;;;27*-2;6*-1;;;;9*+6
InChIKey:
QKOMKPKIRQLRRV-UHFFFAOYSA-N

Cite this record

CBID:303094 http://www.chembase.cn/molecule-303094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonatungsten(6+) ion hexasodium tris(dioxotungstenbis(olate)) heptacosaoxidandiide
IUPAC Traditional name
nonatungsten(6+) ion hexasodium tritungstate heptacosaoxidandiide
Synonyms
Sodium tungstate (meta)
Sodium polytungstate
Sodium metatungstate monohydrate
一水合偏钨酸钠
CAS Number
12141-67-2
EC Number
412-770-9
MDL Number
MFCD00061466

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 22534 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.30103  H Acceptors
H Donor LogD (pH = 5.5) -5.970884 
LogD (pH = 7.4) -6.2965326  Log P -1.7752 
Molar Refractivity 5.7716 cm3 Polarizability 10.616612 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Density
5.47 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-41-52/53 expand Show data source
Safety Statements
22-26-39-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H318-H302-H402-H412 expand Show data source
GHS Precautionary statements
P261-P280I-P273-P305+P351+P338 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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