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January 28, 2026
C4H9NO
Datos Químicos de C4H9NO
ID
263
Molecular Formula
C4H9NO
Elemental Composition %
C: 26.6666666666667%
H: 60%
O: 6.66666666666667%
N: 6.66666666666667%
Weight
87.1215
Programa de Cálculo
G16
SMILES
CCNC(C)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PMDCZENCAXMSOU-UHFFFAOYSA-N