Nom: 3-(3-chloro-4-hydroxy-phenyl)-propionic acid ethyl ester
SMILES:
CCOC(=O)CCc1ccc(O)c(Cl)c1Molecular Processing
Molecular formula
C11H13ClO3
Molecular weight
228.68
Exact mass
228.0553
XLogP
2.54
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.07
Supplementary Information
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