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January 28, 2026
C3H2N2O4
Datos Químicos de C3H2N2O4
ID
130251
Molecular Scaffold
daFB@BAJYIeenZfX@@
Molecular Formula
C3H2N2O4
Elemental Composition %
C: 27.2727272727273%
H: 18.1818181818182%
O: 36.3636363636364%
N: 18.1818181818182%
Weight
130.059
Programa de Cálculo
G16
SMILES
NC(OC1=O)=NOC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N2O4/c4-3-5-9-2(7)1(6)8-3/h(H2,4,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BXRQSTMLUNTIQN-UHFFFAOYSA-N