Name: 4-methyl-2-phenyl-2-pentenal
SMILES:
CC(C)C=C(C=O)c1ccccc1Molecular Processing
Molecular formula
C12H14O
Molecular weight
174.24
Exact mass
174.1045
XLogP
2.92
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
55.32
Supplementary Information
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