Name: Ethyl 2-benzoylpentanoate
SMILES:
CCCC(C(=O)OCC)C(=O)c1ccccc1Molecular Processing
Molecular formula
C14H18O3
Molecular weight
234.29
Exact mass
234.1256
XLogP
2.85
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
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
0.429
Molar refractivity
65.8
Supplementary Information
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