الاسم: 3-methyl-6-(3,4-methylenedioxyphenyl)-3-hexenyl bromide
SMILES:
CC(=CCCc1ccc2c(c1)OCO2)CCBrMolecular Processing
Molecular formula
C14H17BrO2
Molecular weight
297.19
Exact mass
296.0412
XLogP
4.08
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
73.05
Supplementary Information
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