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January 28, 2026
C3H3NO3
Datos Químicos de C3H3NO3
ID
1379
Molecular Formula
C3H3NO3
Elemental Composition %
C: 30%
H: 30%
O: 30%
N: 10%
Weight
101.061
Programa de Cálculo
G16
SMILES
[NH][C@](C=O)OC=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4NO3/c4-3(1-5)7-2-6/h1-4H/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BSGLPAAWMGJYRU-VKHMYHEASA-N