Name: alpha-oxo-4-[(12-phenoxydodecyl)oxy]benzeneacetic acid ethyl ester
SMILES:
CCOC(=O)C(=O)c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1Molecular Processing
Molecular formula
C28H38O5
Molecular weight
454.61
Exact mass
454.2719
XLogP
6.79
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
18
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
131.01
Supplementary Information
Details werden geladen…
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