Name: 4-octyloxyphenylglyoxylic acid
SMILES:
CCCCCCCCOc1ccc(C(=O)C(=O)O)cc1Molecular Processing
Molecular formula
C16H22O4
Molecular weight
278.35
Exact mass
278.1518
XLogP
3.69
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.28
Supplementary Information
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