Name: 4-hydroxy-2-phenoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)c1cc(O)c2c(c1)OC(COc1ccccc1)C2Molecular Processing
Molecular formula
C20H22O5
Molecular weight
342.39
Exact mass
342.1467
XLogP
3.73
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
93.33
Supplementary Information
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