SMILES:
C#COCCMolecular Processing
Molecular formula
C4H6O
Molecular weight
70.09
Exact mass
70.0419
XLogP
0.61
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
5
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
20.46
Supplementary Information
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