SMILES:
C=C(C)C(O)CCC#CCMolecular Processing
Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
1.73
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
43.5
Supplementary Information
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