이름: methyl crotonate
SMILES:
C/C=C/C(=O)OCMolecular Processing
Molecular formula
C5H8O2
Molecular weight
100.12
Exact mass
100.0524
XLogP
0.74
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
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
0.4
Molar refractivity
26.83
Supplementary Information
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