Name: ester
SMILES:
C=CCCC(=O)OC(=O)CCC=CMolecular Processing
Molecular formula
C10H14O3
Molecular weight
182.22
Exact mass
182.0943
XLogP
1.99
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
49.96
Supplementary Information
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