SMILES:
CCCCC1C(=CC#CCCCC(=O)OC)C(=O)CC1OMolecular Processing
Molecular formula
C17H24O4
Molecular weight
292.37
Exact mass
292.1675
XLogP
2.4
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
80.37
Supplementary Information
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