이름: 4-(2,3-dimethyl-phenoxy)-butyric acid ethyl ester
SMILES:
CCOC(=O)CCCOc1cccc(C)c1CMolecular Processing
Molecular formula
C14H20O3
Molecular weight
236.31
Exact mass
236.1412
XLogP
3.03
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
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
0.5
Molar refractivity
67.28
Supplementary Information
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