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January 28, 2026
C4H8O3
Datos Químicos de C4H8O3
ID
2181
Molecular Scaffold
gKQ@@eKcUP@
Molecular Formula
C4H8O3
Elemental Composition %
C: 26.6666666666667%
H: 53.3333333333333%
O: 20%
N: 0%
Weight
104.105
Programa de Cálculo
G16
SMILES
O[C@H](COC1)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SSYDTHANSGMJTP-ZXZARUISSA-N