الاسم: methyl 3-benzoyl-4-oxopentanoate
SMILES:
COC(=O)CC(C(C)=O)C(=O)c1ccccc1Molecular Processing
Molecular formula
C13H14O4
Molecular weight
234.25
Exact mass
234.0892
XLogP
1.64
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
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
0.308
Molar refractivity
61.58
Supplementary Information
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