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January 28, 2026
C3H4N2O2
Datos Químicos de C3H4N2O2
ID
3704
Molecular Scaffold
gFt`IPTi[FfX@
Molecular Formula
C3H4N2O2
Elemental Composition %
C: 27.2727272727273%
H: 36.3636363636364%
O: 18.1818181818182%
N: 18.1818181818182%
Weight
100.077
Programa de Cálculo
G16
SMILES
CC(O1)=NOC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N2O2/c1-2-5-7-3(4)6-2/h4H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VPPLWMVOQVBFSZ-UHFFFAOYSA-N