Nombre: 4-hydroxy-2-(6-carbethoxyhexyl)cyclopent-2-en-1-one
SMILES:
CCOC(=O)CCCCCCC1=CC(O)CC1=OMolecular Processing
Molecular formula
C14H22O4
Molecular weight
254.33
Exact mass
254.1518
XLogP
2.15
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
68.05
Supplementary Information
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