Name: isocrotonic acid
SMILES:
C/C=C\C(=O)OMolecular Processing
Molecular formula
C4H6O2
Molecular weight
86.09
Exact mass
86.0368
XLogP
0.65
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
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
0.25
Molar refractivity
22.45
Supplementary Information
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