Name: 2-benzoyl-4-oxo-pentanoic acid ethyl ester
SMILES:
CCOC(=O)C(CC(C)=O)C(=O)c1ccccc1Molecular Processing
Molecular formula
C14H16O4
Molecular weight
248.28
Exact mass
248.1049
XLogP
2.03
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
66.19
Supplementary Information
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