Name: heptanoate
SMILES:
CCCCCCC(=O)[O-]Molecular Processing
Molecular formula
C7H13O2-
Molecular weight
129.18
Exact mass
129.0921
XLogP
0.71
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
33.77
Supplementary Information
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