Nombre: propiolic acids
SMILES:
O=C(O)C#CC1CCCCC1ClMolecular Processing
Molecular formula
C9H11ClO2
Molecular weight
186.64
Exact mass
186.0448
XLogP
1.87
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
47.01
Supplementary Information
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