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January 28, 2026
C3H5NO3
Datos Químicos de C3H5NO3
ID
1639
Molecular Formula
C3H5NO3
Elemental Composition %
C: 25%
H: 41.6666666666667%
O: 25%
N: 8.33333333333333%
Weight
103.077
Programa de Cálculo
G16
SMILES
NC([C@H](C=O)O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5NO3/c4-3(7)2(6)1-5/h1-2,6H,(H2,4,7)/t2-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BCEXFUUMZCQFRL-REOHCLBHSA-N