Name: 4-benzyloxy-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester
SMILES:
COCC1Cc2c(OCc3ccccc3)cc(C(=O)OC(C)(C)C)cc2O1Molecular Processing
Molecular formula
C22H26O5
Molecular weight
370.45
Exact mass
370.178
XLogP
4.17
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
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
0.409
Molar refractivity
102.38
Supplementary Information
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