SMILES:
CCOC(=O)C#Cc1cccc(OC)c1Molecular Processing
Molecular formula
C12H12O3
Molecular weight
204.22
Exact mass
204.0786
XLogP
1.61
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
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
0.25
Molar refractivity
56.51
Supplementary Information
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