이름: methyl 2-(4-methylphenyl)-2-methylpropionate
SMILES:
COC(=O)C(C)(C)c1ccc(C)cc1Molecular Processing
Molecular formula
C12H16O2
Molecular weight
192.26
Exact mass
192.115
XLogP
2.45
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
56.22
Supplementary Information
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