Name: 1,2,3-Trimethoxy-5-(prop-2-ynyl)benzene
SMILES:
C#CCc1cc(OC)c(OC)c(OC)c1Molecular Processing
Molecular formula
C12H14O3
Molecular weight
206.24
Exact mass
206.0943
XLogP
1.89
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.64
Supplementary Information
Details werden geladen…
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