Nombre: 5-butoxy-isophthalic acid dimethyl ester
SMILES:
CCCCOc1cc(C(=O)OC)cc(C(=O)OC)c1Molecular Processing
Molecular formula
C14H18O5
Molecular weight
266.29
Exact mass
266.1154
XLogP
2.44
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
69.52
Supplementary Information
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