이름: 4-Isopropenyl-2-methyl-benzoic acid methyl ester
SMILES:
C=C(C)c1ccc(C(=O)OC)c(C)c1Molecular Processing
Molecular formula
C12H14O2
Molecular weight
190.24
Exact mass
190.0994
XLogP
2.81
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
0.25
Molar refractivity
57.23
Supplementary Information
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