Name: diethyl (2,5-dimethylphenyl)-hydroxymalonate
SMILES:
CCOC(=O)C(O)(C(=O)OCC)c1cc(C)ccc1CMolecular Processing
Molecular formula
C15H20O5
Molecular weight
280.32
Exact mass
280.1311
XLogP
1.62
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
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
73.08
Supplementary Information
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