Name: oct-7-ynoic acid
SMILES:
C#CCCCCCC(=O)OMolecular Processing
Molecular formula
C8H12O2
Molecular weight
140.18
Exact mass
140.0837
XLogP
1.65
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
10
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
0.625
Molar refractivity
39.55
Supplementary Information
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