Name: 4-(3,3-dimethyl-butyryl)-benzaldehyde
SMILES:
CC(C)(C)CC(=O)c1ccc(C=O)cc1Molecular Processing
Molecular formula
C13H16O2
Molecular weight
204.27
Exact mass
204.115
XLogP
3.12
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
60.23
Supplementary Information
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