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12031-82-2 molecular structure
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titanium(4+) ion dilithium(1+) ion trioxidandiide

ChemBase ID: 302969
Molecular Formular: Li2O3Ti
Molecular Mass: 109.7472
Monoisotopic Mass: 109.96469926
SMILES and InChIs

SMILES:
[Li+].[Li+].[O-2].[O-2].[O-2].[Ti+4]
Canonical SMILES:
[Li+].[Li+].[O-2].[O-2].[O-2].[Ti+4]
InChI:
InChI=1S/2Li.3O.Ti/q2*+1;3*-2;+4
InChIKey:
AXQWGBXVDWYWDE-UHFFFAOYSA-N

Cite this record

CBID:302969 http://www.chembase.cn/molecule-302969.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
titanium(4+) ion dilithium(1+) ion trioxidandiide
IUPAC Traditional name
titanium(4+) ion dilithium(1+) ion trioxidandiide
Synonyms
Lithium titanate
Lithium titanium oxide
钛酸锂
CAS Number
12031-82-2
EC Number
234-759-6
MDL Number
MFCD00016181

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 41650 external link Add to cart 13411 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.09  H Acceptors
H Donor LogD (pH = 5.5) 0.0 
LogD (pH = 7.4) 0.0  Log P 0.0 
Molar Refractivity 0.0 cm3 Polarizability 1.7969184 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
-50 Mesh Powder expand Show data source
Powder expand Show data source
Melting Point
1520-1564°C expand Show data source
TSCA Listed
expand Show data source
Purity
99% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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