Название: (2S)-2-ethoxy-3-(4-hydroxy-2-methoxy-phenyl)-propionic acid methyl ester
SMILES:
CCO[C@@H](Cc1ccc(O)cc1OC)C(=O)OCMolecular Processing
Molecular formula
C13H18O5
Molecular weight
254.28
Exact mass
254.1154
XLogP
1.52
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
65.79
Supplementary Information
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