Name: ethyl 2-benzyl-3-oxo-butyrate
SMILES:
CCOC(=O)C(Cc1ccccc1)C(C)=OMolecular Processing
Molecular formula
C13H16O3
Molecular weight
220.27
Exact mass
220.1099
XLogP
2
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
60.95
Supplementary Information
Details werden geladen…
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