이름: toluene
SMILES:
C=CCCCCCCOc1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C15H20O3
Molecular weight
248.32
Exact mass
248.1412
XLogP
3.9
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
72.18
Supplementary Information
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