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January 28, 2026
C3H5NO3
Datos Químicos de C3H5NO3
ID
1653
Molecular Formula
C3H5NO3
Elemental Composition %
C: 25%
H: 41.6666666666667%
O: 25%
N: 8.33333333333333%
Weight
103.077
Programa de Cálculo
G16
SMILES
COC(C(N)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5NO3/c1-7-3(6)2(4)5/h1H3,(H2,4,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AEVHVVDLIHWAGR-UHFFFAOYSA-N