الاسم: 4-hydroxy-2-(6-carboxyhexyl)cyclopent-2-en-1-one
SMILES:
O=C(O)CCCCCCC1=CC(O)CC1=OMolecular Processing
Molecular formula
C12H18O4
Molecular weight
226.27
Exact mass
226.1205
XLogP
1.67
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
16
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
0.667
Molar refractivity
59.05
Supplementary Information
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