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86745-52-0 molecular structure
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niobium(5+) ion lithium(1+) ion hexaethanolate

ChemBase ID: 303296
Molecular Formular: C12H30LiNbO6
Molecular Mass: 370.21038
Monoisotopic Mass: 370.12662123
SMILES and InChIs

SMILES:
[Li+].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5]
Canonical SMILES:
[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[Li+].[Nb+5]
InChI:
InChI=1S/6C2H5O.Li.Nb/c6*1-2-3;;/h6*2H2,1H3;;/q6*-1;+1;+5
InChIKey:
AVEKRHJBCCYCED-UHFFFAOYSA-N

Cite this record

CBID:303296 http://www.chembase.cn/molecule-303296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
niobium(5+) ion lithium(1+) ion hexaethanolate
IUPAC Traditional name
niobium(5+) ion lithium(1+) ion hexakis(ethoxide)
Synonyms
Lithium niobium ethoxide
乙氧基铌锂
CAS Number
86745-52-0
MDL Number
MFCD00210625

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39155 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 16.470615  H Acceptors
H Donor LogD (pH = 5.5) -0.1617691 
LogD (pH = 7.4) -0.1617691  Log P -0.1617691 
Molar Refractivity 23.5602 cm3 Polarizability 4.748913 Å3
Polar Surface Area 23.06 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
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN1170 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-36/38 expand Show data source
Safety Statements
16-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H225-H315-H319 expand Show data source
GHS Precautionary statements
P210-P280G-P305+P351+P338 expand Show data source
Purity
99+% (metals basis), 5% w/v in ethanol expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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