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January 28, 2026
C4H9NO
Datos Químicos de C4H9NO
ID
289
Molecular Formula
C4H9NO
Elemental Composition %
C: 26.6666666666667%
H: 60%
O: 6.66666666666667%
N: 6.66666666666667%
Weight
87.1215
Programa de Cálculo
G16
SMILES
CC(N(C)C)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FXHOOIRPVKKKFG-UHFFFAOYSA-N