TITANIUM ACETYL ACETONATE

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

Structure

InChI Key RYSXWUYLAWPLES-SMVDYOEFSA-N
Smiles C/C(=CC(=O)C)/O.C/C(=CC(=O)C)/O.C/C(=CC(=O)C)/O.C/C(=CC(=O)C)/O.[Ti]
InChI
InChI=1S/4C5H8O2.Ti/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/b4*4-3+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32O8Ti
Molecular Weight 448.16
AlogP 4.15
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 149.2
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 97281-09-9
NORMAN SUSDAT
PubChem 90477840
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