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January 28, 2026
C4H5NO4
Datos Químicos de C4H5NO4
ID
55431
Molecular Scaffold
gFq`@jdrfmU@@
Molecular Formula
C4H5NO4
Elemental Composition %
C: 28.5714285714286%
H: 35.7142857142857%
O: 28.5714285714286%
N: 7.14285714285714%
Weight
131.087
Programa de Cálculo
G16
SMILES
NC([C@H]1OCOC1=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5NO4/c5-3(6)2-4(7)9-1-8-2/h2H,1H2,(H2,5,6)/t2-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YAOPRVKISLYOAN-UWTATZPHSA-N