Название: 3-(2-ethyl-4-formyl-6-methyl-phenyl)-acrylic acid
SMILES:
CCc1cc(C=O)cc(C)c1C=CC(=O)OMolecular Processing
Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
2.47
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
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
0.231
Molar refractivity
62.61
Supplementary Information
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