Nombre: ethyl 2-ethyl-3-methylbenzoate
SMILES:
CCOC(=O)c1cccc(C)c1CCMolecular Processing
Molecular formula
C12H16O2
Molecular weight
192.26
Exact mass
192.115
XLogP
2.73
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
56.51
Supplementary Information
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