الاسم: 1,18-octadecanedioic acid mono benzyl ester
SMILES:
O=C(O)CCCCCCCCCCCCCCCCC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C25H40O4
Molecular weight
404.59
Exact mass
404.2927
XLogP
7.06
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
19
Heavy atoms
29
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
0.68
Molar refractivity
117.75
Supplementary Information
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