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January 28, 2026
C3H3NO3
Datos Químicos de C3H3NO3
ID
1383
Molecular Formula
C3H3NO3
Elemental Composition %
C: 30%
H: 30%
O: 30%
N: 10%
Weight
101.061
Programa de Cálculo
G16
SMILES
O=CC(NC=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3NO3/c5-1-3(7)4-2-6/h1-2H,(H,4,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KZGJHOHVKYOXQD-UHFFFAOYSA-N