名称: 1-(6-methyl-1,3-benzodioxol-5-yl)-1-propanol
SMILES:
CCC(O)c1cc2c(cc1C)OCO2Molecular Processing
Molecular formula
C11H14O3
Molecular weight
194.23
Exact mass
194.0943
XLogP
2.17
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
52.55
Supplementary Information
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