CCOC(=O)C(=O)c1ccc(C2CCCCC2)c(O)c1
Name: ethyl 3-hydroxy-4-cyclohexylphenylglyoxylate
SMILES: CCOC(=O)C(=O)c1ccc(C2CCCCC2)c(O)c1

Molecular Processing

Molecular formula
C16H20O4
Molecular weight
276.33
Exact mass
276.1362
XLogP
3.19
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.9

Supplementary Information

Details werden geladen…

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