Name: 1-[2,4-dihydroxy-3-propylphenoxy]ethanone
SMILES:
CCCc1c(O)ccc(OC(C)=O)c1OMolecular Processing
Molecular formula
C11H14O4
Molecular weight
210.23
Exact mass
210.0892
XLogP
1.98
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
55.08
Supplementary Information
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