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January 28, 2026
C4H10O4
Datos Químicos de C4H10O4
ID
8717
Molecular Formula
C4H10O4
Elemental Composition %
C: 22.2222222222222%
H: 55.5555555555556%
O: 22.2222222222222%
N: 0%
Weight
122.119
Programa de Cálculo
G16
SMILES
OCC(CO)(CO)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H10O4/c5-1-4(8,2-6)3-7/h5-8H,1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HXYJZJOQRLOUPP-UHFFFAOYSA-N