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January 28, 2026
C4H3NO4
Datos Químicos de C4H3NO4
ID
24993
Molecular Scaffold
diVB@LAFyIeUJnEjjjPiRABEeX
Molecular Formula
C4H3NO4
Elemental Composition %
C: 33.3333333333333%
H: 25%
O: 33.3333333333333%
N: 8.33333333333333%
Weight
129.071
Programa de Cálculo
G16
SMILES
O=C1O[C@@]2OCO[C@]2N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5NO4/c6-4-5-2-3(9-4)8-1-7-2/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MYVZWQICPLPLAQ-PWNYCUMCSA-N