Nombre: 1,4-bis(hydroxyethyl)terephthalate
SMILES:
O=C([O-])C1(CCO)C=CC(CCO)(C(=O)[O-])C=C1Molecular Processing
Molecular formula
C12H14O6-2
Molecular weight
254.24
Exact mass
254.0801
XLogP
-2.65
TPSA
120.72
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
-2
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
56.57
Supplementary Information
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