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January 28, 2026
C5H11NO3
Datos Químicos de C5H11NO3
ID
118456
Molecular Formula
C5H11NO3
Elemental Composition %
C: 25%
H: 55%
O: 15%
N: 5%
Weight
133.146
Programa de Cálculo
G16
SMILES
COC[C@H](C(N)=O)OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H11NO3/c1-8-3-4(9-2)5(6)7/h4H,3H2,1-2H3,(H2,6,7)/t4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KBXVQIIDSDYDDS-SCSAIBSYSA-N