Name: [2-(1,1-dimethylethoxy)-2-oxoethyl]oxy-alpha-ethyl-benzeneacetic acid, methyl ester
SMILES:
CCC(C(=O)OC)c1ccccc1OCC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C17H24O5
Molecular weight
308.37
Exact mass
308.1624
XLogP
3.07
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
82.83
Supplementary Information
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