Название: methyl 4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoate
SMILES:
COC(=O)CCCC1(c2ccccc2)CCCCC12OCCO2Molecular Processing
Molecular formula
C19H26O4
Molecular weight
318.41
Exact mass
318.1831
XLogP
3.58
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
87.09
Supplementary Information
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