الاسم: (4-acetyl-3-hydroxy-2-propylphenoxy)acetic acid ethyl ester
SMILES:
CCCc1c(OCC(=O)OCC)ccc(C(C)=O)c1OMolecular Processing
Molecular formula
C15H20O5
Molecular weight
280.32
Exact mass
280.1311
XLogP
2.49
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
20
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
0.467
Molar refractivity
74.23
Supplementary Information
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