Lithium Titanium Oxide

CAT: 0127-IN12276-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-IN12276-01Size:25 g

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CAS Number

12031-95-7

Synonyms

Tetralithium; hydroxy-oxido-oxotitanium; titanium

Purity

99%

Smiles

[Li+].[Li+].[Li+].[Li+].O[Ti](=O)[O-].O[Ti](=O)[O-].O[Ti](=O)[O-].O[Ti](=O)[O-].[Ti]

Chemical Information

Lithium titanate, spinel

See also: Lithium titanium oxide (Li4Ti5O12) (annotation moved to); Tetralithium pentatitanium dodecaoxide (annotation moved to).

CAS Number	12031-95-7
PubChem CID	117064474
IUPAC Name	tetralithium;tetrakis(hydroxy-oxido-oxotitanium);titanium
Molecular Formula	H4Li4O12Ti5
Molecular Weight	463.2
Topological Polar Surface Area	241
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	149

SMILES

[Li+].[Li+].[Li+].[Li+].O[Ti](=O)[O-].O[Ti](=O)[O-].O[Ti](=O)[O-].O[Ti](=O)[O-].[Ti]

InChI

InChI=1S/4Li.4H2O.8O.5Ti/h;;;;4*1H2;;;;;;;;;;;;;/q4*+1;;;;;;;;;4*-1;;4*+1/p-4

InChIKey

HLOGOFPFOSOXAS-UHFFFAOYSA-J

Chemical Structure

2D Structure

CAS: 12031-95-7

CID: 117064474

Formula: H4Li4O12Ti5

MW: 463.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	463.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	0
Exact Mass	463.773993
Monoisotopic Mass	463.773993
Topological Polar Surface Area	241 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	9
Compound Is Canonicalized	Yes