CCOC1=CC(=O)C(CCCO)CC1
名称: Alcohol
SMILES: CCOC1=CC(=O)C(CCCO)CC1

Molecular Processing

Molecular formula
C11H18O3
Molecular weight
198.26
Exact mass
198.1256
XLogP
1.66
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
53.76

Supplementary Information

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