Nombre: 2-acetyloxy-5-octanoylbenzoic acid
SMILES:
CCCCCCCC(=O)c1ccc(OC(C)=O)c(C(=O)O)c1Molecular Processing
Molecular formula
C17H22O5
Molecular weight
306.36
Exact mass
306.1467
XLogP
3.85
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
82.42
Supplementary Information
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