SMILES:
C=C(C)/C=C/CC(=O)OMolecular Processing
Molecular formula
C7H10O2
Molecular weight
126.15
Exact mass
126.0681
XLogP
1.59
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
36.21
Supplementary Information
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