SMILES:
CCCC(=O)C=CC(=O)OMolecular Processing
Molecular formula
C7H10O3
Molecular weight
142.15
Exact mass
142.063
XLogP
1
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
36.69
Supplementary Information
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