CCOC(=O)C1=CC=CC(=C1)C2=CC(=NO2)C
Название: ethyl 3-(3-methyl-1,2-oxazol-5-yl)benzoate
SMILES: CCOC(=O)C1=CC=CC(=C1)C2=CC(=NO2)C

Molecular Processing

Molecular formula
C13H13NO3
Molecular weight
231.25
Exact mass
231.0895
XLogP
2.83
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
62.63

Supplementary Information

InChIKey: RDYVOLQRIFEJAZ-UHFFFAOYSA-N
Синонимы
SCHEMBL5869069RDYVOLQRIFEJAZ-UHFFFAOYSA-Nethyl 3-(3-methyl-isoxazol-5-yl)-benzoate
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