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January 28, 2026
C4H3NO2
Datos Químicos de C4H3NO2
ID
1583
Molecular Formula
C4H3NO2
Elemental Composition %
C: 40%
H: 30%
O: 20%
N: 10%
Weight
97.0728
Programa de Cálculo
G16
SMILES
CC(C(C#N)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H3NO2/c1-3(6)4(7)2-5/h1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RTQDOJVXCBXSJQ-UHFFFAOYSA-N