Nombre: Safranal
SMILES:
CC1=C(C=O)C(C)(C)CC=C1Molecular Processing
Molecular formula
C10H14O
Molecular weight
150.22
Exact mass
150.1045
XLogP
2.49
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
46.3
Supplementary Information
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