Name: 4-(1-hydroxy-heptyl)-benzoic acid methyl ester
SMILES:
CCCCCCC(O)c1ccc(C(=O)OC)cc1Molecular Processing
Molecular formula
C15H22O3
Molecular weight
250.34
Exact mass
250.1569
XLogP
3.48
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
71.5
Supplementary Information
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