TITANIUM, ETHOXYBIS(2,4-PENTANEDIONATO-O,O')(2-PROPANOLATO)-

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID10894215

Structure

InChI Key FBCVAHPAWNFECC-UHFFFAOYSA-N
Smiles [H][C-]1C(C)=[O][Ti+4]2([O-]CC)([O-]C(C)C)([O]=C1C)[O]=C(C)[C-]([H])C(C)=[O]2
InChI
InChI=1S/2C5H7O2.C3H7O.C2H5O.Ti/c2*1-4(6)3-5(2)7;1-3(2)4;1-2-3;/h2*3H,1-2H3;3H,1-2H3;2H2,1H3;/q4*-1;+4

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O6Ti
Molecular Weight 350.12
AlogP -0.14
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 114.4
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 68586-02-7
NORMAN SUSDAT
PubChem 131857588
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