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January 28, 2026
C5H10O4
Datos Químicos de C5H10O4
ID
102403
Molecular Formula
C5H10O4
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 21.0526315789474%
N: 0%
Weight
134.13
Programa de Cálculo
G16
SMILES
COC(CO)(CO)C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10O4/c1-9-5(2-6,3-7)4-8/h2,7-8H,3-4H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FIZGTXYTAFUQKX-UHFFFAOYSA-N