Name: 5-benzyloxy-7-hydroxymethyl-1,4-benzodioxane
SMILES:
OCc1cc2c(c(OCc3ccccc3)c1)OCCO2Molecular Processing
Molecular formula
C16H16O4
Molecular weight
272.3
Exact mass
272.1049
XLogP
2.53
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
74.13
Supplementary Information
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