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Titanium (IV) isopropoxide

CAT: 0024-sc-253704ASize: 2 KgDry Ice: NoHazardous: No
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CAT#:0024-sc-253704ASize:2 Kg
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CAS Number
546-68-9

Chemical Information

Titanium isopropoxide

Titanium(IV) isopropoxide is a titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions.

CAS Number546-68-9
PubChem CID11026
IUPAC Nametetrakis(propan-2-olate);titanium(4+)
Molecular FormulaC12H28O4Ti
Molecular Weight284.22
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity10
SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChI
InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
InChIKey
VXUYXOFXAQZZMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Titanium isopropoxide
CAS: 546-68-9
CID: 11026
Formula: C12H28O4Ti
MW: 284.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.22
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass284.1467000
Monoisotopic Mass284.1467000
Topological Polar Surface Area92.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity10.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes