Name: benzene EtOH ethylene glycol dimethyl ether
SMILES:
CCO.COCCOC.c1ccccc1Molecular Processing
Molecular formula
C12H22O3
Molecular weight
214.31
Exact mass
214.1569
XLogP
1.96
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
3
Fraction Csp3
0.5
Molar refractivity
62.95
Supplementary Information
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