Name: 5-benzyloxy-1,4-benzodioxane-7-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc2c(c(OCc3ccccc3)c1)OCCO2Molecular Processing
Molecular formula
C18H18O5
Molecular weight
314.34
Exact mass
314.1154
XLogP
3.21
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
84.16
Supplementary Information
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