名称: 3-[3-Hydroxy-5-oxo-2-(3-oxo-oct-1-enyl)cyclopent-1-enyl]propanoic acid
SMILES:
CCCCCC(=O)C=CC1=C(CCC(=O)O)C(=O)CC1OMolecular Processing
Molecular formula
C16H22O5
Molecular weight
294.35
Exact mass
294.1467
XLogP
2.19
TPSA
91.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
21
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
77.82
Supplementary Information
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