Name: 1-phenyl-2,4-pentanedione
SMILES:
CC(=O)CC(=O)Cc1ccccc1Molecular Processing
Molecular formula
C11H12O2
Molecular weight
176.22
Exact mass
176.0837
XLogP
1.78
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
50.45
Supplementary Information
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