Name: 5-[[4-(ethoxycarbonyl)phenyl]carbonyl]-2-hydroxybenzenepropanoic acid ethyl ester
SMILES:
CCOC(=O)CCc1cc(C(=O)c2ccc(C(=O)OCC)cc2)ccc1OMolecular Processing
Molecular formula
C21H22O6
Molecular weight
370.4
Exact mass
370.1416
XLogP
3.3
TPSA
89.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
98.89
Supplementary Information
Details werden geladen…
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