الاسم: dihydro-α-ionone
SMILES:
CC(=O)CCC1C(C)=CCCC1(C)CMolecular Processing
Molecular formula
C13H22O
Molecular weight
194.32
Exact mass
194.1671
XLogP
3.74
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
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
0.769
Molar refractivity
60.18
Supplementary Information
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