C[O-].C[O-].C[O-].[CH3][Ti]([CH3])([CH3])([CH3])([CH3])[CH]1C=CC=C1
SMILES: C[O-].C[O-].C[O-].[CH3][Ti]([CH3])([CH3])([CH3])([CH3])[CH]1C=CC=C1

Molecular Processing

Molecular formula
C13H29O3Ti-3
Molecular weight
281.24
Exact mass
281.1613
XLogP
1.3
TPSA
69.18
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
-3
Heteroatoms
4
Covalent units
4
Fraction Csp3
0.692
Molar refractivity
69.12

Supplementary Information

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