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January 28, 2026
C3H6N2O2
Datos Químicos de C3H6N2O2
ID
1650
Molecular Formula
C3H6N2O2
Elemental Composition %
C: 23.0769230769231%
H: 46.1538461538462%
O: 15.3846153846154%
N: 15.3846153846154%
Weight
102.093
Programa de Cálculo
G16
SMILES
CNC(C(N)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6N2O2/c1-5-3(7)2(4)6/h1H3,(H2,4,6)(H,5,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WPRKVIPHGOHZAL-UHFFFAOYSA-N