이름: 5-(2-phenyl-1,3-dioxolan-2-yl)-2-pentanone
SMILES:
CC(=O)CCCC1(c2ccccc2)OCCO1Molecular Processing
Molecular formula
C14H18O3
Molecular weight
234.29
Exact mass
234.1256
XLogP
2.65
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.56
Supplementary Information
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