Name: isophorol
SMILES:
CC1=CC(O)CC(C)(C)C1Molecular Processing
Molecular formula
C9H16O
Molecular weight
140.23
Exact mass
140.1201
XLogP
2.11
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
42.78
Supplementary Information
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