Название: 4,5,6-triethoxyphthalide
SMILES:
CCOc1cc2c(c(OCC)c1OCC)COC2=OMolecular Processing
Molecular formula
C14H18O5
Molecular weight
266.29
Exact mass
266.1154
XLogP
2.55
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
69.07
Supplementary Information
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