Nombre: 1-[4-(2-tert-butoxycarbonyl-ethoxy)-phenyl]-cyclopropanecarboxylic methyl ester
SMILES:
COC(=O)C1(c2ccc(OCCC(=O)OC(C)(C)C)cc2)CC1Molecular Processing
Molecular formula
C18H24O5
Molecular weight
320.39
Exact mass
320.1624
XLogP
3
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
85.33
Supplementary Information
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