TITANIUM, DIETHOXYBIS(2,4-PENTANEDIONATO-O,O')-

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

Structure

InChI Key NQRMJWMYVKGTFM-VGKOASNMSA-L
Smiles CC[O-].CC[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4]
InChI
InChI=1S/2C5H8O2.2C2H5O.Ti/c2*1-4(6)3-5(2)7;2*1-2-3;/h2*3,6H,1-2H3;2*2H2,1H3;/q;;2*-1;+4/p-2/b2*4-3-;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O6Ti
Molecular Weight 336.11
AlogP -1.59
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 126.38
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 16902-40-2
NORMAN SUSDAT
PubChem 5483806
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