Название: 2-allyl-1,3-cyclohexanedione
SMILES:
C=CCC1C(=O)CCCC1=OMolecular Processing
Molecular formula
C9H12O2
Molecular weight
152.19
Exact mass
152.0837
XLogP
1.5
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
42.17
Supplementary Information
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