Name: [rac]-2-(4-hydroxy-2-methyl-benzyl)-heptanoic acid methyl ester
SMILES:
CCCCCC(Cc1ccc(O)cc1C)C(=O)OCMolecular Processing
Molecular formula
C16H24O3
Molecular weight
264.37
Exact mass
264.1725
XLogP
3.61
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
19
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
0.562
Molar refractivity
76.2
Supplementary Information
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