Name: 2-(2,4-Di-t-pentylphenoxy)ethanoic acid
SMILES:
CCC(C)(C)c1ccc(OCC(=O)O)c(C(C)(C)CC)c1Molecular Processing
Molecular formula
C18H28O3
Molecular weight
292.42
Exact mass
292.2038
XLogP
4.53
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
86.21
Supplementary Information
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