Nombre: 3,4-dihydro-3,3-dimethyl-2H-1,5-benzodioxepine
SMILES:
CC1(C)COc2ccccc2OC1Molecular Processing
Molecular formula
C11H14O2
Molecular weight
178.23
Exact mass
178.0994
XLogP
2.48
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
51.21
Supplementary Information
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