Nombre: 4-carboxy-4-(2-thienyl)cyclohexanone ethylene ketal
SMILES:
O=C(O)C1(c2cccs2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C13H16O4S
Molecular weight
268.33
Exact mass
268.0769
XLogP
2.39
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
66.74
Supplementary Information
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