Nombre: methyl (RS)-3-(1-cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoate
SMILES:
C#CC(Oc1cc(C(=O)OC)cc(OC)c1OC)C1CC1Molecular Processing
Molecular formula
C16H18O5
Molecular weight
290.32
Exact mass
290.1154
XLogP
2.28
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
76.86
Supplementary Information
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