Name: 2-phenyl-2-pentenal
SMILES:
CCC=C(C=O)c1ccccc1Molecular Processing
Molecular formula
C11H12O
Molecular weight
160.22
Exact mass
160.0888
XLogP
2.68
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
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
0.182
Molar refractivity
50.77
Supplementary Information
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