CCOC(=O)c1cc(C(=O)OCC)[nH]n1
Nombre: Diethyl 3,5-pyrazoledicarboxylate
SMILES: CCOC(=O)c1cc(C(=O)OCC)[nH]n1

Molecular Processing

Molecular formula
C9H12N2O4
Molecular weight
212.2
Exact mass
212.0797
XLogP
0.76
TPSA
81.28
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
50.5

Supplementary Information

Obteniendo detalles…

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