Name: trans-2-nonenoic acid
SMILES:
CCCCCC/C=C/C(=O)OMolecular Processing
Molecular formula
C9H16O2
Molecular weight
156.22
Exact mass
156.115
XLogP
2.6
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
45.53
Supplementary Information
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