Nombre: 3-(2'-hydroxy-3',4'-dimethoxy-6'-methylbenzoyl)propionic acid
SMILES:
COc1cc(C)c(C(=O)CCC(=O)O)c(O)c1OCMolecular Processing
Molecular formula
C13H16O6
Molecular weight
268.26
Exact mass
268.0947
XLogP
1.77
TPSA
93.06
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
67.15
Supplementary Information
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