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January 28, 2026
C3H7NO
Datos Químicos de C3H7NO
ID
49
Molecular Formula
C3H7NO
Elemental Composition %
C: 25%
H: 58.3333333333333%
O: 8.33333333333333%
N: 8.33333333333333%
Weight
73.0946
Programa de Cálculo
G16
SMILES
CC(C)=NO
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PXAJQJMDEXJWFB-UHFFFAOYSA-N