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January 28, 2026
C3H7NO2
Datos Químicos de C3H7NO2
ID
269
Molecular Formula
C3H7NO2
Elemental Composition %
C: 23.0769230769231%
H: 53.8461538461539%
O: 15.3846153846154%
N: 7.69230769230769%
Weight
89.0936
Programa de Cálculo
G16
SMILES
COCC(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MTEZLAATISORQK-UHFFFAOYSA-N