이름: EtOAc nBuOH
SMILES:
CCCCO.CCOC(C)=OMolecular Processing
Molecular formula
C8H18O3
Molecular weight
162.23
Exact mass
162.1256
XLogP
1.35
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.875
Molar refractivity
44.3
Supplementary Information
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