Name: 2-octenoic acid 3-octenoic acid
SMILES:
CCCCC=CCC(=O)O.CCCCCC=CC(=O)OMolecular Processing
Molecular formula
C16H28O4
Molecular weight
284.4
Exact mass
284.1988
XLogP
4.42
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
20
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.625
Molar refractivity
81.84
Supplementary Information
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