Titanium (IV) oxyacetylacetonate

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CAS Number

14024-64-7

Synonyms

(E) -4-hydroxypent-3-en-2-one; oxotitanium

MDL Number

MFCD00013505

Purity

98%

Smiles

C/C(=C\C(=O)C)/O.C/C(=C\C(=O)C)/O.O=[Ti]

Chemical Information

Bis(4-hydroxypent-3-en-2-one);oxotitanium

See also: Bis(acetylacetonato)titanium oxide (annotation moved to) ... View More ...

CAS Number	14024-64-7
PubChem CID	539986
IUPAC Name	bis(4-hydroxypent-3-en-2-one);oxotitanium
Molecular Formula	C10H16O5Ti
Molecular Weight	264.10
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	253

SMILES

CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[Ti]

InChI

InChI=1S/2C5H8O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;

InChIKey

ADVORQMAWLEPOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14024-64-7

CID: 539986

Formula: C10H16O5Ti

MW: 264.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.10
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	264.0477143
Monoisotopic Mass	264.0477143
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
sc-229466	Titanium (IV) oxyacetylacetonate
GK5886-2kg	Titanium (IV) isopropoxide
abx186048	Titanium(IV) chloride
sc-251257	Titanium (IV) ethoxide
sc-255664A	Titanium (IV) oxide
sc-251260	Titanium (IV) propoxide
sc-251259	Titanium (IV) oxysulfate
90027207-100g	Titanium (IV) chloride
GX5233-2kg	Titanium(IV) isopropoxide
sc-253702A	Titanium (IV) butoxide